4-(2-methylbut-2-enyl)-1H-indole

C13H15N — CID 141009102

IUPAC4-(2-methylbut-2-enyl)-1H-indole
SMILESCC=C(C)Cc1cccc2[nH]ccc12
InChIInChI=1S/C13H15N/c1-3-10(2)9-11-5-4-6-13-12(11)7-8-14-13/h3-8,14H,9H2,1-2H3
InChIKeyHWUWKBGJYQXKMT-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.68
Rot. Bonds2

About 4-(2-methylbut-2-enyl)-1H-indole

4-(2-methylbut-2-enyl)-1H-indole (PubChem CID 141009102) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-methylbut-2-enyl)-1H-indole.

Molecular Properties

Compound Name4-(2-methylbut-2-enyl)-1H-indole
PubChem CID141009102
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-(2-methylbut-2-enyl)-1H-indole
SMILESCC=C(C)Cc1cccc2[nH]ccc12
InChIInChI=1S/C13H15N/c1-3-10(2)9-11-5-4-6-13-12(11)7-8-14-13/h3-8,14H,9H2,1-2H3
InChIKeyHWUWKBGJYQXKMT-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(2-methylbut-2-enyl)-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

4-(3-methylbut-3-enyl)-1H-indole
CID 14010474
ethane;1H-indol-4-ylmethanamine
CID 144540106
1H-indol-4-ol
CID 102220556
4-(iodomethyl)-1H-indole
CID 143791617
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine
CID 131861438
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(2-hydroxyphenyl)-2-(1H-indol-4-yl)acetamide
CID 139642119
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
4-(isocyanomethyl)-1H-indole
CID 83479881

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbut-2-enyl)-1H-indole?
The IUPAC name of 4-(2-methylbut-2-enyl)-1H-indole (CID 141009102) is 4-(2-methylbut-2-enyl)-1H-indole.
What is the SMILES notation for 4-(2-methylbut-2-enyl)-1H-indole?
The canonical SMILES for 4-(2-methylbut-2-enyl)-1H-indole is CC=C(C)Cc1cccc2[nH]ccc12.
What is the InChIKey of 4-(2-methylbut-2-enyl)-1H-indole?
The InChIKey is HWUWKBGJYQXKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-10(2)9-11-5-4-6-13-12(11)7-8-14-13/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-(2-methylbut-2-enyl)-1H-indole?
4-(2-methylbut-2-enyl)-1H-indole has a molecular weight of 185.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbut-2-enyl)-1H-indole is sourced from PubChem (CID 141009102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).