5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid

C9H9NO3 — CID 84656778

IUPAC5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid
SMILESO=C(O)c1c(O)ccc2c1CCN2
InChIInChI=1S/C9H9NO3/c11-7-2-1-6-5(3-4-10-6)8(7)9(12)13/h1-2,10-11H,3-4H2,(H,12,13)
InChIKeyUGHIJAWHDSGIKE-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.06
Rot. Bonds1

About 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid

5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid (PubChem CID 84656778) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid
PubChem CID84656778
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid
SMILESO=C(O)c1c(O)ccc2c1CCN2
InChIInChI=1S/C9H9NO3/c11-7-2-1-6-5(3-4-10-6)8(7)9(12)13/h1-2,10-11H,3-4H2,(H,12,13)
InChIKeyUGHIJAWHDSGIKE-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
CID 117110506
5-bromo-2,3-dihydro-1H-indole-4-carboxamide
CID 178093220
5-iodo-2,3-dihydro-1H-indol-4-ol
CID 71026845
5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
5,8-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one
CID 117046400
2-(2,3-dihydro-1H-indol-4-yl)propanoic acid
CID 117119033
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
5-amino-2-propan-2-yloxybenzoic acid;6-hydroxy-1,2,3,4-tetrahydroquinoline-5-carboxylic acid;6-methoxyquinoline-5-carboxylic acid;6-methoxy-1,2,3,4-tetrahydroquinoline-5-carboxylic acid
CID 158937741
4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
CID 167722989
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide
CID 68635954
5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 84675022

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid (CID 84656778) is 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid is O=C(O)c1c(O)ccc2c1CCN2.
What is the InChIKey of 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid?
The InChIKey is UGHIJAWHDSGIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-7-2-1-6-5(3-4-10-6)8(7)9(12)13/h1-2,10-11H,3-4H2,(H,12,13).
What are the key properties of 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid?
5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid is sourced from PubChem (CID 84656778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).