2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid

C12H13NO2 — CID 105455172

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
SMILESO=C(O)C1CC2Cc3ccccc3N2C1
InChIInChI=1S/C12H13NO2/c14-12(15)9-6-10-5-8-3-1-2-4-11(8)13(10)7-9/h1-4,9-10H,5-7H2,(H,14,15)
InChIKeyFWADVCKEPOERQQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.52
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid

2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid (PubChem CID 105455172) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
PubChem CID105455172
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
SMILESO=C(O)C1CC2Cc3ccccc3N2C1
InChIInChI=1S/C12H13NO2/c14-12(15)9-6-10-5-8-3-1-2-4-11(8)13(10)7-9/h1-4,9-10H,5-7H2,(H,14,15)
InChIKeyFWADVCKEPOERQQ-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903025
1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903079
(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11298239
1-sulfino-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480773
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
CID 105492570
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
ethane;(3R)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 159380558
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid (CID 105455172) is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid is O=C(O)C1CC2Cc3ccccc3N2C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
The InChIKey is FWADVCKEPOERQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(15)9-6-10-5-8-3-1-2-4-11(8)13(10)7-9/h1-4,9-10H,5-7H2,(H,14,15).
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid is sourced from PubChem (CID 105455172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).