7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid

C9H9NO3 — CID 115015319

IUPAC7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(O)c2N1
InChIInChI=1S/C9H9NO3/c11-7-3-1-2-5-4-6(9(12)13)10-8(5)7/h1-3,6,10-11H,4H2,(H,12,13)
InChIKeyBHYXXPYZDZAYIA-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.81
Rot. Bonds1

About 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid

7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 115015319) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID115015319
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(O)c2N1
InChIInChI=1S/C9H9NO3/c11-7-3-1-2-5-4-6(9(12)13)10-8(5)7/h1-3,6,10-11H,4H2,(H,12,13)
InChIKeyBHYXXPYZDZAYIA-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid
CID 69220907
(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 96613428
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
1-[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanone
CID 59916130
2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
CID 112711991
2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol
CID 15360241
(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124583906
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 2733173

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid (CID 115015319) is 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)C1Cc2cccc(O)c2N1.
What is the InChIKey of 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is BHYXXPYZDZAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-7-3-1-2-5-4-6(9(12)13)10-8(5)7/h1-3,6,10-11H,4H2,(H,12,13).
What are the key properties of 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid?
7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 115015319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).