7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one

C12H13NO2 — CID 171725898

IUPAC7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one
SMILESNC1Cc2cc3c(cc2C1)OC(=O)CC3
InChIInChI=1S/C12H13NO2/c13-10-4-8-3-7-1-2-12(14)15-11(7)6-9(8)5-10/h3,6,10H,1-2,4-5,13H2
InChIKeyQVFFULZDJMDJHY-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.96
Rot. Bonds

About 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one

7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one (PubChem CID 171725898) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one.

Molecular Properties

Compound Name7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one
PubChem CID171725898
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one
SMILESNC1Cc2cc3c(cc2C1)OC(=O)CC3
InChIInChI=1S/C12H13NO2/c13-10-4-8-3-7-1-2-12(14)15-11(7)6-9(8)5-10/h3,6,10H,1-2,4-5,13H2
InChIKeyQVFFULZDJMDJHY-UHFFFAOYSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]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 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one?
The IUPAC name of 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one (CID 171725898) is 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one.
What is the SMILES notation for 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one?
The canonical SMILES for 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one is NC1Cc2cc3c(cc2C1)OC(=O)CC3.
What is the InChIKey of 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one?
The InChIKey is QVFFULZDJMDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-10-4-8-3-7-1-2-12(14)15-11(7)6-9(8)5-10/h3,6,10H,1-2,4-5,13H2.
What are the key properties of 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one?
7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one is sourced from PubChem (CID 171725898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).