1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid

C13H13NO2 — CID 82278306

IUPAC1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccc2[nH]cc(C3(C(=O)O)CC3)c2c1
InChIInChI=1S/C13H13NO2/c1-8-2-3-11-9(6-8)10(7-14-11)13(4-5-13)12(15)16/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)
InChIKeySOFVUARFIHTCPV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.59
Rot. Bonds2

About 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid

1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82278306) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82278306
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccc2[nH]cc(C3(C(=O)O)CC3)c2c1
InChIInChI=1S/C13H13NO2/c1-8-2-3-11-9(6-8)10(7-14-11)13(4-5-13)12(15)16/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)
InChIKeySOFVUARFIHTCPV-UHFFFAOYSA-N
XLogP2.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278313
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117292393
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113210608
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
N-ethyl-1-(5-methoxy-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113210822
3,5-dimethyl-1H-indole
CID 142943492
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid (CID 82278306) is 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid is Cc1ccc2[nH]cc(C3(C(=O)O)CC3)c2c1.
What is the InChIKey of 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is SOFVUARFIHTCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-2-3-11-9(6-8)10(7-14-11)13(4-5-13)12(15)16/h2-3,6-7,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82278306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).