5-(1H-indol-3-yl)-2-methylpent-2-enoic acid

C14H15NO2 — CID 91332063

IUPAC5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
SMILESCC(=CCCc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H15NO2/c1-10(14(16)17)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,5,7-9,15H,4,6H2,1H3,(H,16,17)
InChIKeyCJLUTSYRZZLNBI-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.13
Rot. Bonds4

About 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid

5-(1H-indol-3-yl)-2-methylpent-2-enoic acid (PubChem CID 91332063) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
PubChem CID91332063
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
SMILESCC(=CCCc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H15NO2/c1-10(14(16)17)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,5,7-9,15H,4,6H2,1H3,(H,16,17)
InChIKeyCJLUTSYRZZLNBI-UHFFFAOYSA-N
XLogP3.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
3-but-3-enyl-1H-indole
CID 57142098
CID 87710053
CID 87710053
(E)-4-[2-(1H-indol-3-yl)ethylamino]-4-phenylbut-3-en-2-one
CID 11833647
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
CID 57297566
(2S)-2-amino-4-(1H-indol-3-yl)butanoic acid;hydrate
CID 140978088
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
CID 70154649
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid?
The IUPAC name of 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid (CID 91332063) is 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid is CC(=CCCc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid?
The InChIKey is CJLUTSYRZZLNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(14(16)17)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,5,7-9,15H,4,6H2,1H3,(H,16,17).
What are the key properties of 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid?
5-(1H-indol-3-yl)-2-methylpent-2-enoic acid has a molecular weight of 229.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-2-methylpent-2-enoic acid is sourced from PubChem (CID 91332063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).