2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine

C30H34N2O3 — CID 158810121

IUPAC2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine
SMILESNC(=O)C1Cc2ccccc2C1.NCC1Cc2ccccc2C1.O=C(O)C1Cc2ccccc2C1
InChIInChI=1S/C10H11NO.C10H13N.C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9;11-7-8-5-9-3-1-2-4-10(9)6-8;11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,11,12);1-4,8H,5-7,11H2;1-4,9H,5-6H2,(H,11,12)
InChIKeyIUOOPTINMAINLG-UHFFFAOYSA-N
MW470.61 g/mol
LogP3.73
Rot. Bonds3

About 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine

2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine (PubChem CID 158810121) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine
PubChem CID158810121
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine
SMILESNC(=O)C1Cc2ccccc2C1.NCC1Cc2ccccc2C1.O=C(O)C1Cc2ccccc2C1
InChIInChI=1S/C10H11NO.C10H13N.C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9;11-7-8-5-9-3-1-2-4-10(9)6-8;11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,11,12);1-4,8H,5-7,11H2;1-4,9H,5-6H2,(H,11,12)
InChIKeyIUOOPTINMAINLG-UHFFFAOYSA-N
XLogP3.73
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine 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 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine?
The IUPAC name of 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine (CID 158810121) is 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine.
What is the SMILES notation for 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine?
The canonical SMILES for 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine is NC(=O)C1Cc2ccccc2C1.NCC1Cc2ccccc2C1.O=C(O)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine?
The InChIKey is IUOOPTINMAINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H13N.C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9;11-7-8-5-9-3-1-2-4-10(9)6-8;11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,11,12);1-4,8H,5-7,11H2;1-4,9H,5-6H2,(H,11,12).
What are the key properties of 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine?
2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine has a molecular weight of 470.61 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine is sourced from PubChem (CID 158810121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).