4-prop-2-enyl-1H-quinolin-2-one

C12H11NO — CID 66696786

IUPAC4-prop-2-enyl-1H-quinolin-2-one
SMILESC=CCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C12H11NO/c1-2-5-9-8-12(14)13-11-7-4-3-6-10(9)11/h2-4,6-8H,1,5H2,(H,13,14)
InChIKeyWOYTXPOYSSZKQM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.26
Rot. Bonds2

About 4-prop-2-enyl-1H-quinolin-2-one

4-prop-2-enyl-1H-quinolin-2-one (PubChem CID 66696786) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-prop-2-enyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-prop-2-enyl-1H-quinolin-2-one
PubChem CID66696786
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-prop-2-enyl-1H-quinolin-2-one
SMILESC=CCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C12H11NO/c1-2-5-9-8-12(14)13-11-7-4-3-6-10(9)11/h2-4,6-8H,1,5H2,(H,13,14)
InChIKeyWOYTXPOYSSZKQM-UHFFFAOYSA-N
XLogP2.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyquinoline
CID 6038
Crotamiton
CID 2883
N-(3-Methylphenyl)acetamide
CID 10843
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
N-Ethyl-o-crotonotoluidide
CID 688020
2'-Methylacetoacetanilide
CID 7154
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
Lgd 2226
CID 11560224
4-Methylquinolin-2-ol
CID 69088

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1H-quinolin-2-one?
The IUPAC name of 4-prop-2-enyl-1H-quinolin-2-one (CID 66696786) is 4-prop-2-enyl-1H-quinolin-2-one.
What is the SMILES notation for 4-prop-2-enyl-1H-quinolin-2-one?
The canonical SMILES for 4-prop-2-enyl-1H-quinolin-2-one is C=CCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-prop-2-enyl-1H-quinolin-2-one?
The InChIKey is WOYTXPOYSSZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-5-9-8-12(14)13-11-7-4-3-6-10(9)11/h2-4,6-8H,1,5H2,(H,13,14).
What are the key properties of 4-prop-2-enyl-1H-quinolin-2-one?
4-prop-2-enyl-1H-quinolin-2-one has a molecular weight of 185.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1H-quinolin-2-one is sourced from PubChem (CID 66696786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).