2H-quinolin-3-one

C9H7NO — CID 19958894

IUPAC2H-quinolin-3-one
SMILESO=C1C=c2ccccc2=NC1
InChIInChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-5H,6H2
InChIKeyIHNINSVQYKIZIC-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.33
Rot. Bonds

About 2H-quinolin-3-one

2H-quinolin-3-one (PubChem CID 19958894) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 2H-quinolin-3-one.

Molecular Properties

Compound Name2H-quinolin-3-one
PubChem CID19958894
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name2H-quinolin-3-one
SMILESO=C1C=c2ccccc2=NC1
InChIInChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-5H,6H2
InChIKeyIHNINSVQYKIZIC-UHFFFAOYSA-N
XLogP-0.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-quinolin-3-one?
The IUPAC name of 2H-quinolin-3-one (CID 19958894) is 2H-quinolin-3-one.
What is the SMILES notation for 2H-quinolin-3-one?
The canonical SMILES for 2H-quinolin-3-one is O=C1C=c2ccccc2=NC1.
What is the InChIKey of 2H-quinolin-3-one?
The InChIKey is IHNINSVQYKIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-5H,6H2.
What are the key properties of 2H-quinolin-3-one?
2H-quinolin-3-one has a molecular weight of 145.16 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinolin-3-one is sourced from PubChem (CID 19958894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).