3-(oxomethylidene)quinolin-2-one

C10H5NO2 — CID 71302596

IUPAC3-(oxomethylidene)quinolin-2-one
SMILESO=C=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C10H5NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5H
InChIKeyKJAPRUUWBMNSHL-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.62
Rot. Bonds

About 3-(oxomethylidene)quinolin-2-one

3-(oxomethylidene)quinolin-2-one (PubChem CID 71302596) has the molecular formula C10H5NO2 and a molecular weight of 171.15 g/mol. Its IUPAC name is 3-(oxomethylidene)quinolin-2-one.

Molecular Properties

Compound Name3-(oxomethylidene)quinolin-2-one
PubChem CID71302596
Molecular FormulaC10H5NO2
Molecular Weight171.15 g/mol
Exact Mass171.03
IUPAC Name3-(oxomethylidene)quinolin-2-one
SMILESO=C=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C10H5NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5H
InChIKeyKJAPRUUWBMNSHL-UHFFFAOYSA-N
XLogP-0.62
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxomethylidene)quinolin-2-one?
The IUPAC name of 3-(oxomethylidene)quinolin-2-one (CID 71302596) is 3-(oxomethylidene)quinolin-2-one.
What is the SMILES notation for 3-(oxomethylidene)quinolin-2-one?
The canonical SMILES for 3-(oxomethylidene)quinolin-2-one is O=C=C1C=c2ccccc2=NC1=O.
What is the InChIKey of 3-(oxomethylidene)quinolin-2-one?
The InChIKey is KJAPRUUWBMNSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5H.
What are the key properties of 3-(oxomethylidene)quinolin-2-one?
3-(oxomethylidene)quinolin-2-one has a molecular weight of 171.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxomethylidene)quinolin-2-one is sourced from PubChem (CID 71302596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).