7-chloro-1-(3-methylbut-2-enyl)indole

C13H14ClN — CID 103474747

IUPAC7-chloro-1-(3-methylbut-2-enyl)indole
SMILESCC(C)=CCn1ccc2cccc(Cl)c21
InChIInChI=1S/C13H14ClN/c1-10(2)6-8-15-9-7-11-4-3-5-12(14)13(11)15/h3-7,9H,8H2,1-2H3
InChIKeyAUGIBLPKUNBMQZ-UHFFFAOYSA-N
MW219.72 g/mol
LogP4.26
Rot. Bonds2

About 7-chloro-1-(3-methylbut-2-enyl)indole

7-chloro-1-(3-methylbut-2-enyl)indole (PubChem CID 103474747) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 7-chloro-1-(3-methylbut-2-enyl)indole.

Molecular Properties

Compound Name7-chloro-1-(3-methylbut-2-enyl)indole
PubChem CID103474747
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name7-chloro-1-(3-methylbut-2-enyl)indole
SMILESCC(C)=CCn1ccc2cccc(Cl)c21
InChIInChI=1S/C13H14ClN/c1-10(2)6-8-15-9-7-11-4-3-5-12(14)13(11)15/h3-7,9H,8H2,1-2H3
InChIKeyAUGIBLPKUNBMQZ-UHFFFAOYSA-N
XLogP4.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-chloro-1-(3-methylbut-2-enyl)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 7-chloro-1-(3-methylbut-2-enyl)indole?
The IUPAC name of 7-chloro-1-(3-methylbut-2-enyl)indole (CID 103474747) is 7-chloro-1-(3-methylbut-2-enyl)indole.
What is the SMILES notation for 7-chloro-1-(3-methylbut-2-enyl)indole?
The canonical SMILES for 7-chloro-1-(3-methylbut-2-enyl)indole is CC(C)=CCn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(3-methylbut-2-enyl)indole?
The InChIKey is AUGIBLPKUNBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-10(2)6-8-15-9-7-11-4-3-5-12(14)13(11)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-chloro-1-(3-methylbut-2-enyl)indole?
7-chloro-1-(3-methylbut-2-enyl)indole has a molecular weight of 219.72 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-methylbut-2-enyl)indole is sourced from PubChem (CID 103474747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).