2,3-dihydro-1H-indole-2-carboxylic acid;methanol

C10H13NO3 — CID 174391428

IUPAC2,3-dihydro-1H-indole-2-carboxylic acid;methanol
SMILESCO.O=C(O)C1Cc2ccccc2N1
InChIInChI=1S/C9H9NO2.CH4O/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-2/h1-4,8,10H,5H2,(H,11,12);2H,1H3
InChIKeyULUGYPVCBHEPCM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds1

About 2,3-dihydro-1H-indole-2-carboxylic acid;methanol

2,3-dihydro-1H-indole-2-carboxylic acid;methanol (PubChem CID 174391428) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole-2-carboxylic acid;methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indole-2-carboxylic acid;methanol
PubChem CID174391428
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2,3-dihydro-1H-indole-2-carboxylic acid;methanol
SMILESCO.O=C(O)C1Cc2ccccc2N1
InChIInChI=1S/C9H9NO2.CH4O/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-2/h1-4,8,10H,5H2,(H,11,12);2H,1H3
InChIKeyULUGYPVCBHEPCM-UHFFFAOYSA-N
XLogP0.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-indole-2-carboxylic acid;methanol with MolForge

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

Launch Full Analysis

Related Compounds

bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
2-amino-4-methylbenzoic acid;(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 160725758
2,3,4,5-tetrahydro-1H-1-benzazepine-2-carboxylic acid
CID 75355585
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567392
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035
1-(2,3-dihydro-1H-indol-2-yl)prop-2-yn-1-one
CID 116596892
1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one
CID 70952651

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole-2-carboxylic acid;methanol?
The IUPAC name of 2,3-dihydro-1H-indole-2-carboxylic acid;methanol (CID 174391428) is 2,3-dihydro-1H-indole-2-carboxylic acid;methanol.
What is the SMILES notation for 2,3-dihydro-1H-indole-2-carboxylic acid;methanol?
The canonical SMILES for 2,3-dihydro-1H-indole-2-carboxylic acid;methanol is CO.O=C(O)C1Cc2ccccc2N1.
What is the InChIKey of 2,3-dihydro-1H-indole-2-carboxylic acid;methanol?
The InChIKey is ULUGYPVCBHEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.CH4O/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-2/h1-4,8,10H,5H2,(H,11,12);2H,1H3.
What are the key properties of 2,3-dihydro-1H-indole-2-carboxylic acid;methanol?
2,3-dihydro-1H-indole-2-carboxylic acid;methanol has a molecular weight of 195.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole-2-carboxylic acid;methanol is sourced from PubChem (CID 174391428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).