4-methyl-1-prop-2-ynylquinolin-2-one

C13H11NO — CID 1480995

IUPAC4-methyl-1-prop-2-ynylquinolin-2-one
SMILESC#CCn1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C13H11NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h1,4-7,9H,8H2,2H3
InChIKeyRVJVZPNNCOYQLZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.94
Rot. Bonds1

About 4-methyl-1-prop-2-ynylquinolin-2-one

4-methyl-1-prop-2-ynylquinolin-2-one (PubChem CID 1480995) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-methyl-1-prop-2-ynylquinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-prop-2-ynylquinolin-2-one
PubChem CID1480995
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-methyl-1-prop-2-ynylquinolin-2-one
SMILESC#CCn1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C13H11NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h1,4-7,9H,8H2,2H3
InChIKeyRVJVZPNNCOYQLZ-UHFFFAOYSA-N
XLogP1.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-ynylquinolin-2-one?
The IUPAC name of 4-methyl-1-prop-2-ynylquinolin-2-one (CID 1480995) is 4-methyl-1-prop-2-ynylquinolin-2-one.
What is the SMILES notation for 4-methyl-1-prop-2-ynylquinolin-2-one?
The canonical SMILES for 4-methyl-1-prop-2-ynylquinolin-2-one is C#CCn1c(=O)cc(C)c2ccccc21.
What is the InChIKey of 4-methyl-1-prop-2-ynylquinolin-2-one?
The InChIKey is RVJVZPNNCOYQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h1,4-7,9H,8H2,2H3.
What are the key properties of 4-methyl-1-prop-2-ynylquinolin-2-one?
4-methyl-1-prop-2-ynylquinolin-2-one has a molecular weight of 197.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-ynylquinolin-2-one is sourced from PubChem (CID 1480995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).