6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid

C12H11NO3 — CID 105470706

IUPAC6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
SMILESO=C(O)C1CCc2cc3cc(O)ccc3n21
InChIInChI=1S/C12H11NO3/c14-9-2-4-10-7(6-9)5-8-1-3-11(12(15)16)13(8)10/h2,4-6,11,14H,1,3H2,(H,15,16)
InChIKeyGLVURSOYQUOQBX-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.92
Rot. Bonds1

About 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid

6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid (PubChem CID 105470706) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
PubChem CID105470706
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
SMILESO=C(O)C1CCc2cc3cc(O)ccc3n21
InChIInChI=1S/C12H11NO3/c14-9-2-4-10-7(6-9)5-8-1-3-11(12(15)16)13(8)10/h2,4-6,11,14H,1,3H2,(H,15,16)
InChIKeyGLVURSOYQUOQBX-UHFFFAOYSA-N
XLogP1.92
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
CID 105497079
5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
CID 105468499
2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid
CID 105489135
2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid
CID 105492336
(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid
CID 99164984
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
CID 118319727
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
CID 83858260
(3R)-2-(cyclopropylmethoxycarbonyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 166291204
6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115019326
1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 115038140

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The IUPAC name of 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid (CID 105470706) is 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid is O=C(O)C1CCc2cc3cc(O)ccc3n21.
What is the InChIKey of 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The InChIKey is GLVURSOYQUOQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-9-2-4-10-7(6-9)5-8-1-3-11(12(15)16)13(8)10/h2,4-6,11,14H,1,3H2,(H,15,16).
What are the key properties of 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid is sourced from PubChem (CID 105470706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).