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

C12H11NO3 — CID 105470701

IUPAC5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
SMILESO=C(O)C1CCn2c1cc1c(O)cccc12
InChIInChI=1S/C12H11NO3/c14-11-3-1-2-9-8(11)6-10-7(12(15)16)4-5-13(9)10/h1-3,6-7,14H,4-5H2,(H,15,16)
InChIKeyKVLYYLQBTYPGAY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.92
Rot. Bonds1

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

5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid (PubChem CID 105470701) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
PubChem CID105470701
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
SMILESO=C(O)C1CCn2c1cc1c(O)cccc12
InChIInChI=1S/C12H11NO3/c14-11-3-1-2-9-8(11)6-10-7(12(15)16)4-5-13(9)10/h1-3,6-7,14H,4-5H2,(H,15,16)
InChIKeyKVLYYLQBTYPGAY-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

6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol
CID 115022934
2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid
CID 105489135
5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
CID 115046881
8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-1-ol
CID 105469892
5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 15180748
6-chloro-5-(1H-pyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 20528190
6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
CID 70488217
5-(2,2-dimethylpropanoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487072
6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 20528164
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 10131273
7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83833649

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid (CID 105470701) is 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid is O=C(O)C1CCn2c1cc1c(O)cccc12.
What is the InChIKey of 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid?
The InChIKey is KVLYYLQBTYPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11-3-1-2-9-8(11)6-10-7(12(15)16)4-5-13(9)10/h1-3,6-7,14H,4-5H2,(H,15,16).
What are the key properties of 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid?
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-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 5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid is sourced from PubChem (CID 105470701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).