1-cyclopropyl-5-methylindole-3-carboxylic acid

C13H13NO2 — CID 115029082

IUPAC1-cyclopropyl-5-methylindole-3-carboxylic acid
SMILESCc1ccc2c(c1)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C13H13NO2/c1-8-2-5-12-10(6-8)11(13(15)16)7-14(12)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,16)
InChIKeyQHBSLLXJBQQQHP-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.98
Rot. Bonds2

About 1-cyclopropyl-5-methylindole-3-carboxylic acid

1-cyclopropyl-5-methylindole-3-carboxylic acid (PubChem CID 115029082) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-methylindole-3-carboxylic acid
PubChem CID115029082
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-cyclopropyl-5-methylindole-3-carboxylic acid
SMILESCc1ccc2c(c1)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C13H13NO2/c1-8-2-5-12-10(6-8)11(13(15)16)7-14(12)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,16)
InChIKeyQHBSLLXJBQQQHP-UHFFFAOYSA-N
XLogP2.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
1-cyclopropyl-5-methylindole-3-carbaldehyde
CID 115021718
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
CID 68762000
5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid
CID 154408135
1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;1,4-diazepane
CID 142119061
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methylindole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-methylindole-3-carboxylic acid (CID 115029082) is 1-cyclopropyl-5-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-methylindole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-methylindole-3-carboxylic acid is Cc1ccc2c(c1)c(C(=O)O)cn2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methylindole-3-carboxylic acid?
The InChIKey is QHBSLLXJBQQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-2-5-12-10(6-8)11(13(15)16)7-14(12)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,16).
What are the key properties of 1-cyclopropyl-5-methylindole-3-carboxylic acid?
1-cyclopropyl-5-methylindole-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methylindole-3-carboxylic acid is sourced from PubChem (CID 115029082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).