(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid

C16H17NO2 — CID 82299218

IUPAC(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C(/c1c[nH]c2ccccc12)C1CCCC1
InChIInChI=1S/C16H17NO2/c18-16(19)9-13(11-5-1-2-6-11)14-10-17-15-8-4-3-7-12(14)15/h3-4,7-11,17H,1-2,5-6H2,(H,18,19)/b13-9+
InChIKeyXSWVUEUFDCYYNK-UKTHLTGXSA-N
MW255.32 g/mol
LogP3.83
Rot. Bonds3

About (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid

(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid (PubChem CID 82299218) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
PubChem CID82299218
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C(/c1c[nH]c2ccccc12)C1CCCC1
InChIInChI=1S/C16H17NO2/c18-16(19)9-13(11-5-1-2-6-11)14-10-17-15-8-4-3-7-12(14)15/h3-4,7-11,17H,1-2,5-6H2,(H,18,19)/b13-9+
InChIKeyXSWVUEUFDCYYNK-UKTHLTGXSA-N
XLogP3.83
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-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

cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(E)-3-cyclopropyl-3-(7-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82277818
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 101442248
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid (CID 82299218) is (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid is O=C(O)/C=C(/c1c[nH]c2ccccc12)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid?
The InChIKey is XSWVUEUFDCYYNK-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)9-13(11-5-1-2-6-11)14-10-17-15-8-4-3-7-12(14)15/h3-4,7-11,17H,1-2,5-6H2,(H,18,19)/b13-9+.
What are the key properties of (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid?
(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82299218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).