1-cyclopropyl-3-methylindole;ethane

C14H19N — CID 145207186

IUPAC1-cyclopropyl-3-methylindole;ethane
SMILESCC.Cc1cn(C2CC2)c2ccccc12
InChIInChI=1S/C12H13N.C2H6/c1-9-8-13(10-6-7-10)12-5-3-2-4-11(9)12;1-2/h2-5,8,10H,6-7H2,1H3;1-2H3
InChIKeyBBBIZOABHYFKTN-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.31
Rot. Bonds1

About 1-cyclopropyl-3-methylindole;ethane

1-cyclopropyl-3-methylindole;ethane (PubChem CID 145207186) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylindole;ethane.

Molecular Properties

Compound Name1-cyclopropyl-3-methylindole;ethane
PubChem CID145207186
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-cyclopropyl-3-methylindole;ethane
SMILESCC.Cc1cn(C2CC2)c2ccccc12
InChIInChI=1S/C12H13N.C2H6/c1-9-8-13(10-6-7-10)12-5-3-2-4-11(9)12;1-2/h2-5,8,10H,6-7H2,1H3;1-2H3
InChIKeyBBBIZOABHYFKTN-UHFFFAOYSA-N
XLogP4.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-methylindole;ethane 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 1-cyclopropyl-3-methylindole;ethane?
The IUPAC name of 1-cyclopropyl-3-methylindole;ethane (CID 145207186) is 1-cyclopropyl-3-methylindole;ethane.
What is the SMILES notation for 1-cyclopropyl-3-methylindole;ethane?
The canonical SMILES for 1-cyclopropyl-3-methylindole;ethane is CC.Cc1cn(C2CC2)c2ccccc12.
What is the InChIKey of 1-cyclopropyl-3-methylindole;ethane?
The InChIKey is BBBIZOABHYFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C2H6/c1-9-8-13(10-6-7-10)12-5-3-2-4-11(9)12;1-2/h2-5,8,10H,6-7H2,1H3;1-2H3.
What are the key properties of 1-cyclopropyl-3-methylindole;ethane?
1-cyclopropyl-3-methylindole;ethane has a molecular weight of 201.31 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylindole;ethane is sourced from PubChem (CID 145207186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).