7182-08-3
C₁₁H₁₉NO·181.270 g/mol·CID 306092
IUPAC: 4-(cyclohepten-1-yl)morpholine
Also known as: 1-MORPHOLINO-1-CYCLOHEPTENE, 4-(cyclohepten-1-yl)morpholine, 1-Morpholine-1-cycloheptene, 4-(CYCLOHEPT-1-EN-1-YL)MORPHOLINE, Morpholine, 4-(1-cyclohepten-1-yl)- (+13 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.270g/mol
Exact Mass
181.146664Da
Monoisotopic Mass
181.146664Da
XLogP
2.3
Polar Surface Area
12.5Ų
Complexity
183
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.3 g/mol
MW ≤ 500
✓ 2.3
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h5H,1-4,6-10H2
Isomers8 compounds with formula C₁₁H₁₉NO
benzyl(trimethyl)azanium;methanolate
CID 8504 · 181.3 g/mol
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10313386 · 181.3 g/mol
N-ethylnona-2,6-dienamide
CID 57351458 · 181.3 g/mol
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884 · 181.3 g/mol
5,5-dimethyl-3-(propylamino)cyclohex-2-en-1-one
CID 143371 · 181.3 g/mol
2-butyl-4,5-diethyl-1,3-oxazole
CID 525778 · 181.3 g/mol
2-butyl-5-methyl-4-propyl-1,3-oxazole
CID 525779 · 181.3 g/mol
2-hexyl-4,5-dimethyl-1,3-oxazole
CID 525781 · 181.3 g/mol