3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one

C9H13NO — CID 11040874

IUPAC3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one
SMILESO=C1CCC2CCCC=C2N1
InChIInChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h4,7H,1-3,5-6H2,(H,10,11)
InChIKeyWTRGZZGTBPTPDO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds

About 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one

3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one (PubChem CID 11040874) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one
PubChem CID11040874
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one
SMILESO=C1CCC2CCCC=C2N1
InChIInChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h4,7H,1-3,5-6H2,(H,10,11)
InChIKeyWTRGZZGTBPTPDO-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7(1H,3H)-Quinolinedione, 4,4a,5,6-tetrahydro-
CID 10997393
Tetrahydroquinolinone
CID 19026177
Tetrahydroquinoline-2,3,4-trione
CID 69116639
Hexahydroquinoline-2,5-dione
CID 70406278
2,4-Dioxo-tetrahydrochinoline
CID 129630006
Tetrahydrobenzo[h]quinolin-2-one
CID 168266428
2(1H)-Quinolinone, 3,4,4a,5,6,7-hexahydro-4a-methyl-
CID 12269247
N-(cyclohexen-1-yl)cyclohexanecarboxamide
CID 102297648
3,3-Diathyl-2,4-dioxo-tetrahydrochinolin
CID 129629988
Tetrahydro-3,3-dimethyl-2,4-quinolinedione
CID 129706415
Cyclohexenylglutarimide
CID 129715235
4a-Methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3,4-dicarbonitrile
CID 129764577

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one?
The IUPAC name of 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one (CID 11040874) is 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one.
What is the SMILES notation for 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one?
The canonical SMILES for 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one is O=C1CCC2CCCC=C2N1.
What is the InChIKey of 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one?
The InChIKey is WTRGZZGTBPTPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h4,7H,1-3,5-6H2,(H,10,11).
What are the key properties of 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one?
3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one is sourced from PubChem (CID 11040874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).