5,8-dihydro-4aH-quinolin-2-one

C9H9NO — CID 163829128

IUPAC5,8-dihydro-4aH-quinolin-2-one
SMILESO=C1C=CC2CC=CCC2=N1
InChIInChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,5-7H,3-4H2
InChIKeyOCDPFRJWNDAGKT-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.49
Rot. Bonds

About 5,8-dihydro-4aH-quinolin-2-one

5,8-dihydro-4aH-quinolin-2-one (PubChem CID 163829128) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5,8-dihydro-4aH-quinolin-2-one.

Molecular Properties

Compound Name5,8-dihydro-4aH-quinolin-2-one
PubChem CID163829128
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5,8-dihydro-4aH-quinolin-2-one
SMILESO=C1C=CC2CC=CCC2=N1
InChIInChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,5-7H,3-4H2
InChIKeyOCDPFRJWNDAGKT-UHFFFAOYSA-N
XLogP1.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one
CID 172943365
4a,6-Dihydroquinoline-2,5-dione
CID 69718781
4a,5-dihydro-2H-quinolin-8-one
CID 91275193
4-methyl-5,6,7,8-tetrahydro-4aH-quinolin-2-one
CID 45036152
5,6,7,8-tetrahydro-4aH-quinolin-2-one
CID 71303624
8-methyl-4aH-quinolin-2-one
CID 71304103
6,8-dimethyl-4aH-quinolin-2-one
CID 71650432
4aH-quinolin-2-one
CID 72541205
4a,5,7,8-Tetrahydroquinoline-2,6-dione
CID 76137346
4-methyl-4aH-quinolin-2-one
CID 76521617
3-ethyl-2-methyl-3H-pyridin-6-one
CID 76851472
4a,5,6,7-Tetrahydrocyclopenta[b]pyridin-2-one
CID 77520510

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydro-4aH-quinolin-2-one?
The IUPAC name of 5,8-dihydro-4aH-quinolin-2-one (CID 163829128) is 5,8-dihydro-4aH-quinolin-2-one.
What is the SMILES notation for 5,8-dihydro-4aH-quinolin-2-one?
The canonical SMILES for 5,8-dihydro-4aH-quinolin-2-one is O=C1C=CC2CC=CCC2=N1.
What is the InChIKey of 5,8-dihydro-4aH-quinolin-2-one?
The InChIKey is OCDPFRJWNDAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,5-7H,3-4H2.
What are the key properties of 5,8-dihydro-4aH-quinolin-2-one?
5,8-dihydro-4aH-quinolin-2-one has a molecular weight of 147.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydro-4aH-quinolin-2-one is sourced from PubChem (CID 163829128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).