2H-quinolin-3-ylidenemethanone

C10H7NO — CID 87769772

IUPAC2H-quinolin-3-ylidenemethanone
SMILESO=C=C1C=c2ccccc2=NC1
InChIInChI=1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-5H,6H2
InChIKeyPXBTWKCBJQWYDI-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.14
Rot. Bonds

About 2H-quinolin-3-ylidenemethanone

2H-quinolin-3-ylidenemethanone (PubChem CID 87769772) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 2H-quinolin-3-ylidenemethanone.

Molecular Properties

Compound Name2H-quinolin-3-ylidenemethanone
PubChem CID87769772
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name2H-quinolin-3-ylidenemethanone
SMILESO=C=C1C=c2ccccc2=NC1
InChIInChI=1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-5H,6H2
InChIKeyPXBTWKCBJQWYDI-UHFFFAOYSA-N
XLogP-0.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-quinolin-3-ylidenemethanone?
The IUPAC name of 2H-quinolin-3-ylidenemethanone (CID 87769772) is 2H-quinolin-3-ylidenemethanone.
What is the SMILES notation for 2H-quinolin-3-ylidenemethanone?
The canonical SMILES for 2H-quinolin-3-ylidenemethanone is O=C=C1C=c2ccccc2=NC1.
What is the InChIKey of 2H-quinolin-3-ylidenemethanone?
The InChIKey is PXBTWKCBJQWYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-5H,6H2.
What are the key properties of 2H-quinolin-3-ylidenemethanone?
2H-quinolin-3-ylidenemethanone has a molecular weight of 157.17 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinolin-3-ylidenemethanone is sourced from PubChem (CID 87769772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).