1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one

C12H14N2O — CID 67813769

IUPAC1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one
SMILESC=CC(N)N1C(=O)CCc2ccccc21
InChIInChI=1S/C12H14N2O/c1-2-11(13)14-10-6-4-3-5-9(10)7-8-12(14)15/h2-6,11H,1,7-8,13H2
InChIKeyYTWJVKXFSZTMJC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.44
Rot. Bonds2

About 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one

1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one (PubChem CID 67813769) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one
PubChem CID67813769
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one
SMILESC=CC(N)N1C(=O)CCc2ccccc21
InChIInChI=1S/C12H14N2O/c1-2-11(13)14-10-6-4-3-5-9(10)7-8-12(14)15/h2-6,11H,1,7-8,13H2
InChIKeyYTWJVKXFSZTMJC-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one (CID 67813769) is 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one is C=CC(N)N1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one?
The InChIKey is YTWJVKXFSZTMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-11(13)14-10-6-4-3-5-9(10)7-8-12(14)15/h2-6,11H,1,7-8,13H2.
What are the key properties of 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one?
1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 67813769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).