5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid

C13H13NO2 — CID 105468499

IUPAC5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
SMILESCc1cccc2c1cc1n2C(C(=O)O)CC1
InChIInChI=1S/C13H13NO2/c1-8-3-2-4-11-10(8)7-9-5-6-12(13(15)16)14(9)11/h2-4,7,12H,5-6H2,1H3,(H,15,16)
InChIKeyQOGGWUIYCGJALU-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.52
Rot. Bonds1

About 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid

5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid (PubChem CID 105468499) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
PubChem CID105468499
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
SMILESCc1cccc2c1cc1n2C(C(=O)O)CC1
InChIInChI=1S/C13H13NO2/c1-8-3-2-4-11-10(8)7-9-5-6-12(13(15)16)14(9)11/h2-4,7,12H,5-6H2,1H3,(H,15,16)
InChIKeyQOGGWUIYCGJALU-UHFFFAOYSA-N
XLogP2.52
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
CID 105497079
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 117003708
1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 115024025
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115019326
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
(1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105468047
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid
CID 125449025
1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793718
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149418
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid (CID 105468499) is 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid is Cc1cccc2c1cc1n2C(C(=O)O)CC1.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The InChIKey is QOGGWUIYCGJALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-3-2-4-11-10(8)7-9-5-6-12(13(15)16)14(9)11/h2-4,7,12H,5-6H2,1H3,(H,15,16).
What are the key properties of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid is sourced from PubChem (CID 105468499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).