2-but-1-en-2-yl-1H-indole

C12H13N — CID 23105124

IUPAC2-but-1-en-2-yl-1H-indole
SMILESC=C(CC)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H13N/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h4-8,13H,2-3H2,1H3
InChIKeyJIXLNAXYEJWSIM-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.59
Rot. Bonds2

About 2-but-1-en-2-yl-1H-indole

2-but-1-en-2-yl-1H-indole (PubChem CID 23105124) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-but-1-en-2-yl-1H-indole.

Molecular Properties

Compound Name2-but-1-en-2-yl-1H-indole
PubChem CID23105124
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-but-1-en-2-yl-1H-indole
SMILESC=C(CC)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H13N/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h4-8,13H,2-3H2,1H3
InChIKeyJIXLNAXYEJWSIM-UHFFFAOYSA-N
XLogP3.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-but-1-en-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-1H-indole?
The IUPAC name of 2-but-1-en-2-yl-1H-indole (CID 23105124) is 2-but-1-en-2-yl-1H-indole.
What is the SMILES notation for 2-but-1-en-2-yl-1H-indole?
The canonical SMILES for 2-but-1-en-2-yl-1H-indole is C=C(CC)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-but-1-en-2-yl-1H-indole?
The InChIKey is JIXLNAXYEJWSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h4-8,13H,2-3H2,1H3.
What are the key properties of 2-but-1-en-2-yl-1H-indole?
2-but-1-en-2-yl-1H-indole has a molecular weight of 171.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-1H-indole is sourced from PubChem (CID 23105124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).