4-amino-2,3-dihydroinden-1-one

C9H9NO — CID 22170214

IUPAC4-amino-2,3-dihydroinden-1-one
SMILESNc1cccc2c1CCC2=O
InChIInChI=1S/C9H9NO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5,10H2
InChIKeyHCPYYLKYVRPDKI-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.40
Rot. Bonds

About 4-amino-2,3-dihydroinden-1-one

4-amino-2,3-dihydroinden-1-one (PubChem CID 22170214) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-amino-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-amino-2,3-dihydroinden-1-one
PubChem CID22170214
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-amino-2,3-dihydroinden-1-one
SMILESNc1cccc2c1CCC2=O
InChIInChI=1S/C9H9NO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5,10H2
InChIKeyHCPYYLKYVRPDKI-UHFFFAOYSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2,3-dihydroinden-1-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 4-amino-2,3-dihydroinden-1-one?
The IUPAC name of 4-amino-2,3-dihydroinden-1-one (CID 22170214) is 4-amino-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-amino-2,3-dihydroinden-1-one?
The canonical SMILES for 4-amino-2,3-dihydroinden-1-one is Nc1cccc2c1CCC2=O.
What is the InChIKey of 4-amino-2,3-dihydroinden-1-one?
The InChIKey is HCPYYLKYVRPDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5,10H2.
What are the key properties of 4-amino-2,3-dihydroinden-1-one?
4-amino-2,3-dihydroinden-1-one has a molecular weight of 147.18 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydroinden-1-one is sourced from PubChem (CID 22170214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).