5,8a-dihydro-3H-quinolin-6-one

C9H9NO — CID 56634664

IUPAC5,8a-dihydro-3H-quinolin-6-one
SMILESO=C1C=CC2N=CCC=C2C1
InChIInChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h2-5,9H,1,6H2
InChIKeyMIHMQVJEEULMCB-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.28
Rot. Bonds

About 5,8a-dihydro-3H-quinolin-6-one

5,8a-dihydro-3H-quinolin-6-one (PubChem CID 56634664) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5,8a-dihydro-3H-quinolin-6-one.

Molecular Properties

Compound Name5,8a-dihydro-3H-quinolin-6-one
PubChem CID56634664
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5,8a-dihydro-3H-quinolin-6-one
SMILESO=C1C=CC2N=CCC=C2C1
InChIInChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h2-5,9H,1,6H2
InChIKeyMIHMQVJEEULMCB-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8a-dihydro-3H-quinolin-6-one?
The IUPAC name of 5,8a-dihydro-3H-quinolin-6-one (CID 56634664) is 5,8a-dihydro-3H-quinolin-6-one.
What is the SMILES notation for 5,8a-dihydro-3H-quinolin-6-one?
The canonical SMILES for 5,8a-dihydro-3H-quinolin-6-one is O=C1C=CC2N=CCC=C2C1.
What is the InChIKey of 5,8a-dihydro-3H-quinolin-6-one?
The InChIKey is MIHMQVJEEULMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h2-5,9H,1,6H2.
What are the key properties of 5,8a-dihydro-3H-quinolin-6-one?
5,8a-dihydro-3H-quinolin-6-one has a molecular weight of 147.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8a-dihydro-3H-quinolin-6-one is sourced from PubChem (CID 56634664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).