5-methylidene-4a,8a-dihydroquinolin-8-one

C10H9NO — CID 130031886

IUPAC5-methylidene-4a,8a-dihydroquinolin-8-one
SMILESC=C1C=CC(=O)C2N=CC=CC12
InChIInChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,8,10H,1H2
InChIKeyJVQPFRSXNTWFTJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.31
Rot. Bonds

About 5-methylidene-4a,8a-dihydroquinolin-8-one

5-methylidene-4a,8a-dihydroquinolin-8-one (PubChem CID 130031886) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-methylidene-4a,8a-dihydroquinolin-8-one.

Molecular Properties

Compound Name5-methylidene-4a,8a-dihydroquinolin-8-one
PubChem CID130031886
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-methylidene-4a,8a-dihydroquinolin-8-one
SMILESC=C1C=CC(=O)C2N=CC=CC12
InChIInChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,8,10H,1H2
InChIKeyJVQPFRSXNTWFTJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8aH-quinolin-8-one
CID 13507518
2-(2-methylpropyl)-2H-pyridin-3-one
CID 22623662
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one
CID 57102823
8,8a-dihydro-3H-isoquinolin-5-one
CID 57270055
6,6a-dihydro-4H-phenanthridin-1-one
CID 57322103
1-(1-Hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone
CID 59897662
4,4a-dihydro-3H-quinolin-5-one
CID 68843701
7-Azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one
CID 90872925
(4Z,5S)-5-ethyl-4-ethylidene-6-[[(1S,6R)-6-methylcyclohex-3-en-1-yl]iminomethyl]cyclohex-2-en-1-one
CID 118669697
2-cyclopropyl-2H-pyridin-3-one
CID 153944017
8aH-quinolin-8-one;hydrochloride
CID 162307222

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4a,8a-dihydroquinolin-8-one?
The IUPAC name of 5-methylidene-4a,8a-dihydroquinolin-8-one (CID 130031886) is 5-methylidene-4a,8a-dihydroquinolin-8-one.
What is the SMILES notation for 5-methylidene-4a,8a-dihydroquinolin-8-one?
The canonical SMILES for 5-methylidene-4a,8a-dihydroquinolin-8-one is C=C1C=CC(=O)C2N=CC=CC12.
What is the InChIKey of 5-methylidene-4a,8a-dihydroquinolin-8-one?
The InChIKey is JVQPFRSXNTWFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,8,10H,1H2.
What are the key properties of 5-methylidene-4a,8a-dihydroquinolin-8-one?
5-methylidene-4a,8a-dihydroquinolin-8-one has a molecular weight of 159.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4a,8a-dihydroquinolin-8-one is sourced from PubChem (CID 130031886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).