2,4,4a,5-tetrahydro-1H-quinolin-3-one

C9H11NO — CID 68793250

IUPAC2,4,4a,5-tetrahydro-1H-quinolin-3-one
SMILESO=C1CNC2=CC=CCC2C1
InChIInChI=1S/C9H11NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-2,4,7,10H,3,5-6H2
InChIKeyAUAGMNMBRXUKON-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.01
Rot. Bonds

About 2,4,4a,5-tetrahydro-1H-quinolin-3-one

2,4,4a,5-tetrahydro-1H-quinolin-3-one (PubChem CID 68793250) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,4,4a,5-tetrahydro-1H-quinolin-3-one.

Molecular Properties

Compound Name2,4,4a,5-tetrahydro-1H-quinolin-3-one
PubChem CID68793250
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,4,4a,5-tetrahydro-1H-quinolin-3-one
SMILESO=C1CNC2=CC=CCC2C1
InChIInChI=1S/C9H11NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-2,4,7,10H,3,5-6H2
InChIKeyAUAGMNMBRXUKON-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
Tetrahydro-4-quinolone
CID 66867494
Tetrahydroquinolinedione
CID 67172636
5-Oxohexahydroquinoline
CID 67278758
4-Ketotetrahydroisoquinoline
CID 68845171
(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
CID 134545185
3-Methyltetrahydro-4-quinolone
CID 129795595
3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
CID 19707371
2,3,4a,5,6,7-hexahydro-1H-quinolin-4-one
CID 53437856
2,4,4a,8a-tetrahydro-1H-quinolin-3-one
CID 53739267
2,3,4,4a,7,8a-hexahydro-1H-quinolin-8-one
CID 56980167
2,3,4a,8a-tetrahydro-1H-isoquinolin-4-one
CID 57036997

Frequently Asked Questions

What is the IUPAC name of 2,4,4a,5-tetrahydro-1H-quinolin-3-one?
The IUPAC name of 2,4,4a,5-tetrahydro-1H-quinolin-3-one (CID 68793250) is 2,4,4a,5-tetrahydro-1H-quinolin-3-one.
What is the SMILES notation for 2,4,4a,5-tetrahydro-1H-quinolin-3-one?
The canonical SMILES for 2,4,4a,5-tetrahydro-1H-quinolin-3-one is O=C1CNC2=CC=CCC2C1.
What is the InChIKey of 2,4,4a,5-tetrahydro-1H-quinolin-3-one?
The InChIKey is AUAGMNMBRXUKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-2,4,7,10H,3,5-6H2.
What are the key properties of 2,4,4a,5-tetrahydro-1H-quinolin-3-one?
2,4,4a,5-tetrahydro-1H-quinolin-3-one has a molecular weight of 149.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4a,5-tetrahydro-1H-quinolin-3-one is sourced from PubChem (CID 68793250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).