5,8a-dihydro-1H-quinolin-6-one

C9H9NO — CID 19886271

IUPAC5,8a-dihydro-1H-quinolin-6-one
SMILESO=C1C=CC2NC=CC=C2C1
InChIInChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-5,9-10H,6H2
InChIKeyASFVHEFGEDRPLU-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.93
Rot. Bonds

About 5,8a-dihydro-1H-quinolin-6-one

5,8a-dihydro-1H-quinolin-6-one (PubChem CID 19886271) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5,8a-dihydro-1H-quinolin-6-one.

Molecular Properties

Compound Name5,8a-dihydro-1H-quinolin-6-one
PubChem CID19886271
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5,8a-dihydro-1H-quinolin-6-one
SMILESO=C1C=CC2NC=CC=C2C1
InChIInChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-5,9-10H,6H2
InChIKeyASFVHEFGEDRPLU-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-Hydroxybenzo(h)quinoline
CID 11816407
Benzo(f)quinolin-9-ol
CID 188875
4-Tetrahydroquinol-4-one
CID 129694425
Benzo[f]quinolin-7(4H)-one
CID 54318476
8h-Serotonin
CID 129719087
7-Amino-10-hydroxybenzo[h]quinoline
CID 175647258
5,6-dihydro-4aH-phenanthridin-10-one
CID 18187437
4,6-dihydro-1H-quinolin-5-one
CID 19815263
7,8a-dihydro-1H-quinolin-8-one
CID 19831414
7-bromo-5,8a-dihydro-1H-quinolin-6-one
CID 19886282
6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde
CID 19886284
5-amino-5H-naphthalen-1-one
CID 19902715

Frequently Asked Questions

What is the IUPAC name of 5,8a-dihydro-1H-quinolin-6-one?
The IUPAC name of 5,8a-dihydro-1H-quinolin-6-one (CID 19886271) is 5,8a-dihydro-1H-quinolin-6-one.
What is the SMILES notation for 5,8a-dihydro-1H-quinolin-6-one?
The canonical SMILES for 5,8a-dihydro-1H-quinolin-6-one is O=C1C=CC2NC=CC=C2C1.
What is the InChIKey of 5,8a-dihydro-1H-quinolin-6-one?
The InChIKey is ASFVHEFGEDRPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-5,9-10H,6H2.
What are the key properties of 5,8a-dihydro-1H-quinolin-6-one?
5,8a-dihydro-1H-quinolin-6-one has a molecular weight of 147.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8a-dihydro-1H-quinolin-6-one is sourced from PubChem (CID 19886271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).