3-ethyl-2-propyl-1H-indole

C13H17N — CID 65335384

IUPAC3-ethyl-2-propyl-1H-indole
SMILESCCCc1[nH]c2ccccc2c1CC
InChIInChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyZBCKFPVSLNTUKR-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.68
Rot. Bonds3

About 3-ethyl-2-propyl-1H-indole

3-ethyl-2-propyl-1H-indole (PubChem CID 65335384) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-ethyl-2-propyl-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-propyl-1H-indole
PubChem CID65335384
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-ethyl-2-propyl-1H-indole
SMILESCCCc1[nH]c2ccccc2c1CC
InChIInChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyZBCKFPVSLNTUKR-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-ethyl-2-propyl-1H-indole 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

2,3-diethyl-1H-indole;hydrate
CID 70606554
2-propyl-1H-indole-3-thiol
CID 130013090
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
2-benzyl-3-ethyl-1H-indole
CID 13115106
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
CID 155108242
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
bis(9H-carbazole);propane
CID 90987002
2-but-3-en-2-yl-3-propyl-1H-indole
CID 143390635
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-1H-indole?
The IUPAC name of 3-ethyl-2-propyl-1H-indole (CID 65335384) is 3-ethyl-2-propyl-1H-indole.
What is the SMILES notation for 3-ethyl-2-propyl-1H-indole?
The canonical SMILES for 3-ethyl-2-propyl-1H-indole is CCCc1[nH]c2ccccc2c1CC.
What is the InChIKey of 3-ethyl-2-propyl-1H-indole?
The InChIKey is ZBCKFPVSLNTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 3-ethyl-2-propyl-1H-indole?
3-ethyl-2-propyl-1H-indole has a molecular weight of 187.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-1H-indole is sourced from PubChem (CID 65335384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).