3-amino-4-(2-methylpropylamino)chromen-2-one

C13H16N2O2 — CID 767062

IUPAC3-amino-4-(2-methylpropylamino)chromen-2-one
SMILESCC(C)CNc1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C13H16N2O2/c1-8(2)7-15-12-9-5-3-4-6-10(9)17-13(16)11(12)14/h3-6,8,15H,7,14H2,1-2H3
InChIKeyJYJUAOUFEZVSQN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-4-(2-methylpropylamino)chromen-2-one

3-amino-4-(2-methylpropylamino)chromen-2-one (PubChem CID 767062) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-4-(2-methylpropylamino)chromen-2-one.

Molecular Properties

Compound Name3-amino-4-(2-methylpropylamino)chromen-2-one
PubChem CID767062
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-4-(2-methylpropylamino)chromen-2-one
SMILESCC(C)CNc1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C13H16N2O2/c1-8(2)7-15-12-9-5-3-4-6-10(9)17-13(16)11(12)14/h3-6,8,15H,7,14H2,1-2H3
InChIKeyJYJUAOUFEZVSQN-UHFFFAOYSA-N
XLogP2.44
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2-methylpropylamino)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylpropylamino)chromen-2-one?
The IUPAC name of 3-amino-4-(2-methylpropylamino)chromen-2-one (CID 767062) is 3-amino-4-(2-methylpropylamino)chromen-2-one.
What is the SMILES notation for 3-amino-4-(2-methylpropylamino)chromen-2-one?
The canonical SMILES for 3-amino-4-(2-methylpropylamino)chromen-2-one is CC(C)CNc1c(N)c(=O)oc2ccccc12.
What is the InChIKey of 3-amino-4-(2-methylpropylamino)chromen-2-one?
The InChIKey is JYJUAOUFEZVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)7-15-12-9-5-3-4-6-10(9)17-13(16)11(12)14/h3-6,8,15H,7,14H2,1-2H3.
What are the key properties of 3-amino-4-(2-methylpropylamino)chromen-2-one?
3-amino-4-(2-methylpropylamino)chromen-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylpropylamino)chromen-2-one is sourced from PubChem (CID 767062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).