7-methyl-1-prop-2-enylquinolin-2-one

C13H13NO — CID 134158684

IUPAC7-methyl-1-prop-2-enylquinolin-2-one
SMILESC=CCn1c(=O)ccc2ccc(C)cc21
InChIInChI=1S/C13H13NO/c1-3-8-14-12-9-10(2)4-5-11(12)6-7-13(14)15/h3-7,9H,1,8H2,2H3
InChIKeyMAMUJVMJPDSFMU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.50
Rot. Bonds2

About 7-methyl-1-prop-2-enylquinolin-2-one

7-methyl-1-prop-2-enylquinolin-2-one (PubChem CID 134158684) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 7-methyl-1-prop-2-enylquinolin-2-one.

Molecular Properties

Compound Name7-methyl-1-prop-2-enylquinolin-2-one
PubChem CID134158684
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name7-methyl-1-prop-2-enylquinolin-2-one
SMILESC=CCn1c(=O)ccc2ccc(C)cc21
InChIInChI=1S/C13H13NO/c1-3-8-14-12-9-10(2)4-5-11(12)6-7-13(14)15/h3-7,9H,1,8H2,2H3
InChIKeyMAMUJVMJPDSFMU-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-prop-2-enylquinolin-2-one?
The IUPAC name of 7-methyl-1-prop-2-enylquinolin-2-one (CID 134158684) is 7-methyl-1-prop-2-enylquinolin-2-one.
What is the SMILES notation for 7-methyl-1-prop-2-enylquinolin-2-one?
The canonical SMILES for 7-methyl-1-prop-2-enylquinolin-2-one is C=CCn1c(=O)ccc2ccc(C)cc21.
What is the InChIKey of 7-methyl-1-prop-2-enylquinolin-2-one?
The InChIKey is MAMUJVMJPDSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-8-14-12-9-10(2)4-5-11(12)6-7-13(14)15/h3-7,9H,1,8H2,2H3.
What are the key properties of 7-methyl-1-prop-2-enylquinolin-2-one?
7-methyl-1-prop-2-enylquinolin-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-prop-2-enylquinolin-2-one is sourced from PubChem (CID 134158684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).