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

C12H12N2O — CID 67155739

IUPAC3-amino-4-prop-2-enyl-1H-quinolin-2-one
SMILESC=CCc1c(N)c(=O)[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-5-9-8-6-3-4-7-10(8)14-12(15)11(9)13/h2-4,6-7H,1,5,13H2,(H,14,15)
InChIKeyOFDMEMNKIDZAMC-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.84
Rot. Bonds2

About 3-amino-4-prop-2-enyl-1H-quinolin-2-one

3-amino-4-prop-2-enyl-1H-quinolin-2-one (PubChem CID 67155739) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-4-prop-2-enyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-4-prop-2-enyl-1H-quinolin-2-one
PubChem CID67155739
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-amino-4-prop-2-enyl-1H-quinolin-2-one
SMILESC=CCc1c(N)c(=O)[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-5-9-8-6-3-4-7-10(8)14-12(15)11(9)13/h2-4,6-7H,1,5,13H2,(H,14,15)
InChIKeyOFDMEMNKIDZAMC-UHFFFAOYSA-N
XLogP1.84
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
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 3-amino-4-prop-2-enyl-1H-quinolin-2-one?
The IUPAC name of 3-amino-4-prop-2-enyl-1H-quinolin-2-one (CID 67155739) is 3-amino-4-prop-2-enyl-1H-quinolin-2-one.
What is the SMILES notation for 3-amino-4-prop-2-enyl-1H-quinolin-2-one?
The canonical SMILES for 3-amino-4-prop-2-enyl-1H-quinolin-2-one is C=CCc1c(N)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-amino-4-prop-2-enyl-1H-quinolin-2-one?
The InChIKey is OFDMEMNKIDZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-5-9-8-6-3-4-7-10(8)14-12(15)11(9)13/h2-4,6-7H,1,5,13H2,(H,14,15).
What are the key properties of 3-amino-4-prop-2-enyl-1H-quinolin-2-one?
3-amino-4-prop-2-enyl-1H-quinolin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-prop-2-enyl-1H-quinolin-2-one is sourced from PubChem (CID 67155739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).