1-cyclopropyl-4-methylindole-3-carboxylic acid

C13H13NO2 — CID 115029078

IUPAC1-cyclopropyl-4-methylindole-3-carboxylic acid
SMILESCc1cccc2c1c(C(=O)O)cn2C1CC1
InChIInChI=1S/C13H13NO2/c1-8-3-2-4-11-12(8)10(13(15)16)7-14(11)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,16)
InChIKeyCOGIUUIBLKZQDI-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.98
Rot. Bonds2

About 1-cyclopropyl-4-methylindole-3-carboxylic acid

1-cyclopropyl-4-methylindole-3-carboxylic acid (PubChem CID 115029078) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-methylindole-3-carboxylic acid
PubChem CID115029078
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-cyclopropyl-4-methylindole-3-carboxylic acid
SMILESCc1cccc2c1c(C(=O)O)cn2C1CC1
InChIInChI=1S/C13H13NO2/c1-8-3-2-4-11-12(8)10(13(15)16)7-14(11)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,16)
InChIKeyCOGIUUIBLKZQDI-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-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 70458154
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
CID 68762000
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
1-cyclopropyl-4-methoxy-3-methylindole
CID 91447523
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82112948
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711
5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid
CID 151411022
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylindole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-methylindole-3-carboxylic acid (CID 115029078) is 1-cyclopropyl-4-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-methylindole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-methylindole-3-carboxylic acid is Cc1cccc2c1c(C(=O)O)cn2C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methylindole-3-carboxylic acid?
The InChIKey is COGIUUIBLKZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-3-2-4-11-12(8)10(13(15)16)7-14(11)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,16).
What are the key properties of 1-cyclopropyl-4-methylindole-3-carboxylic acid?
1-cyclopropyl-4-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-4-methylindole-3-carboxylic acid is sourced from PubChem (CID 115029078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).