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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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).