4aH-benzo[c]chromen-2-amine

C13H11NO — CID 88653735

IUPAC4aH-benzo[c]chromen-2-amine
SMILESNC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C13H11NO/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8,13H,14H2
InChIKeyYFSIDBABWNHEDV-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.39
Rot. Bonds

About 4aH-benzo[c]chromen-2-amine

4aH-benzo[c]chromen-2-amine (PubChem CID 88653735) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4aH-benzo[c]chromen-2-amine.

Molecular Properties

Compound Name4aH-benzo[c]chromen-2-amine
PubChem CID88653735
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4aH-benzo[c]chromen-2-amine
SMILESNC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C13H11NO/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8,13H,14H2
InChIKeyYFSIDBABWNHEDV-UHFFFAOYSA-N
XLogP0.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4aH-benzo[c]chromen-2-amine 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 4aH-benzo[c]chromen-2-amine?
The IUPAC name of 4aH-benzo[c]chromen-2-amine (CID 88653735) is 4aH-benzo[c]chromen-2-amine.
What is the SMILES notation for 4aH-benzo[c]chromen-2-amine?
The canonical SMILES for 4aH-benzo[c]chromen-2-amine is NC1=CC2=c3ccccc3=COC2C=C1.
What is the InChIKey of 4aH-benzo[c]chromen-2-amine?
The InChIKey is YFSIDBABWNHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8,13H,14H2.
What are the key properties of 4aH-benzo[c]chromen-2-amine?
4aH-benzo[c]chromen-2-amine has a molecular weight of 197.24 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]chromen-2-amine is sourced from PubChem (CID 88653735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).