Indole-3-Acetic Acid

C10H9NO2 — CID 802

IUPAC2-(1H-indol-3-yl)acetic acid
SMILESC1=CC=C2C(=C1)C(=CN2)CC(=O)O
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.40
Rot. Bonds2

About Indole-3-Acetic Acid

Indole-3-Acetic Acid (PubChem CID 802) has the molecular formula C10H9NO2 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetic acid.

Molecular Properties

Compound NameIndole-3-Acetic Acid
PubChem CID802
Molecular FormulaC10H9NO2
Molecular Weight175.18 g/mol
Exact Mass175.06
IUPAC Name2-(1H-indol-3-yl)acetic acid
SMILESC1=CC=C2C(=C1)C(=CN2)CC(=O)O
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-N
XLogP1.40
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Oxitriptan
CID 439280
L-Tryptophan
CID 6305
5-Hydroxyindoleacetic Acid
CID 1826
1H-Indole-3-propanoic acid
CID 3744
(+-)-5-Hydroxytryptophan
CID 144
Dl-Tryptophan
CID 1148
D-Tryptophan
CID 9060
Tryptophol
CID 10685
N-Acetyl-L-tryptophan
CID 700653
5-Methoxyindoleacetic acid
CID 18986
Indole-3-pyruvic acid
CID 803

Frequently Asked Questions

What is the IUPAC name of Indole-3-Acetic Acid?
The IUPAC name of Indole-3-Acetic Acid (CID 802) is 2-(1H-indol-3-yl)acetic acid.
What is the SMILES notation for Indole-3-Acetic Acid?
The canonical SMILES for Indole-3-Acetic Acid is C1=CC=C2C(=C1)C(=CN2)CC(=O)O.
What is the InChIKey of Indole-3-Acetic Acid?
The InChIKey is SEOVTRFCIGRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of Indole-3-Acetic Acid?
Indole-3-Acetic Acid has a molecular weight of 175.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Indole-3-Acetic Acid is sourced from PubChem (CID 802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).