4a,5-dihydro-2H-quinolin-8-one

C9H9NO — CID 91275193

IUPAC4a,5-dihydro-2H-quinolin-8-one
SMILESO=C1C=CCC2C=CCN=C12
InChIInChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-2,4-5,7H,3,6H2
InChIKeyPHNHUZWIBCUJKH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.14
Rot. Bonds

About 4a,5-dihydro-2H-quinolin-8-one

4a,5-dihydro-2H-quinolin-8-one (PubChem CID 91275193) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4a,5-dihydro-2H-quinolin-8-one.

Molecular Properties

Compound Name4a,5-dihydro-2H-quinolin-8-one
PubChem CID91275193
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4a,5-dihydro-2H-quinolin-8-one
SMILESO=C1C=CCC2C=CCN=C12
InChIInChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-2,4-5,7H,3,6H2
InChIKeyPHNHUZWIBCUJKH-UHFFFAOYSA-N
XLogP1.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8a-dihydro-3H-isoquinolin-5-one
CID 57270055
4a,5-dihydro-4H-cinnolin-8-one
CID 57294843
6-Imino-3,7,8,8a-tetrahydroisoquinolin-5-one
CID 57313870
6,6a-dihydro-4H-phenanthridin-1-one
CID 57322103
3,6-dihydro-2H-quinolin-5-one
CID 67546033
4a,6-Dihydroquinoline-2,5-dione
CID 69718781
3,4a,5,8-tetrahydro-2H-quinolin-4-one
CID 91217683
3,4a,5,6-tetrahydro-2H-quinolin-4-one
CID 123775196
4a,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123972882
1-(6-Methylcyclohexa-1,3-dien-1-yl)-2-methyliminopropan-1-one
CID 143466739
5,8-dihydro-4aH-quinolin-2-one
CID 163829128
4a,6,7,8-Tetrahydroquinoline-2,5-dione
CID 71302009

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-2H-quinolin-8-one?
The IUPAC name of 4a,5-dihydro-2H-quinolin-8-one (CID 91275193) is 4a,5-dihydro-2H-quinolin-8-one.
What is the SMILES notation for 4a,5-dihydro-2H-quinolin-8-one?
The canonical SMILES for 4a,5-dihydro-2H-quinolin-8-one is O=C1C=CCC2C=CCN=C12.
What is the InChIKey of 4a,5-dihydro-2H-quinolin-8-one?
The InChIKey is PHNHUZWIBCUJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-2,4-5,7H,3,6H2.
What are the key properties of 4a,5-dihydro-2H-quinolin-8-one?
4a,5-dihydro-2H-quinolin-8-one has a molecular weight of 147.18 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-2H-quinolin-8-one is sourced from PubChem (CID 91275193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).