3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole

C16H19N — CID 143523515

IUPAC3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1ccc2c(/C(=C/C)CC)c[nH]c2c1
InChIInChI=1S/C16H19N/c1-5-12(6-2)15-10-17-16-9-13(11(3)4)7-8-14(15)16/h5,7-10,17H,3,6H2,1-2,4H3/b12-5+
InChIKeyXHTYDNLETMJEMS-LFYBBSHMSA-N
MW225.33 g/mol
LogP5.01
Rot. Bonds3

About 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole

3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole (PubChem CID 143523515) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole.

Molecular Properties

Compound Name3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole
PubChem CID143523515
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1ccc2c(/C(=C/C)CC)c[nH]c2c1
InChIInChI=1S/C16H19N/c1-5-12(6-2)15-10-17-16-9-13(11(3)4)7-8-14(15)16/h5,7-10,17H,3,6H2,1-2,4H3/b12-5+
InChIKeyXHTYDNLETMJEMS-LFYBBSHMSA-N
XLogP5.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-[(E)-pent-2-en-3-yl]-6-prop-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 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole?
The IUPAC name of 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole (CID 143523515) is 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole.
What is the SMILES notation for 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole?
The canonical SMILES for 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole is C=C(C)c1ccc2c(/C(=C/C)CC)c[nH]c2c1.
What is the InChIKey of 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole?
The InChIKey is XHTYDNLETMJEMS-LFYBBSHMSA-N. The full InChI is InChI=1S/C16H19N/c1-5-12(6-2)15-10-17-16-9-13(11(3)4)7-8-14(15)16/h5,7-10,17H,3,6H2,1-2,4H3/b12-5+.
What are the key properties of 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole?
3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole has a molecular weight of 225.33 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole is sourced from PubChem (CID 143523515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).