4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 127264904

IUPAC4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
SMILESCc1cccc2c1CC(C(=O)O)N2.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13;/h2-4,9,11H,5H2,1H3,(H,12,13);1H
InChIKeyYTAAMGAXNQCMCR-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.84
Rot. Bonds1

About 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride

4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride (PubChem CID 127264904) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
PubChem CID127264904
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
SMILESCc1cccc2c1CC(C(=O)O)N2.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13;/h2-4,9,11H,5H2,1H3,(H,12,13);1H
InChIKeyYTAAMGAXNQCMCR-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684
4-tert-butyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 84786777
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198318
4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 117198099
5-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22639040
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 139021106
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83883117
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198293
(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130615096
(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 131146204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride (CID 127264904) is 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride is Cc1cccc2c1CC(C(=O)O)N2.Cl.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
The InChIKey is YTAAMGAXNQCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13;/h2-4,9,11H,5H2,1H3,(H,12,13);1H.
What are the key properties of 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 127264904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).