3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole

C13H17N — CID 138463811

IUPAC3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole
SMILESC=Cc1c(/C=C\C)[nH]c2c1CCCC2
InChIInChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h3-4,7,14H,2,5-6,8-9H2,1H3/b7-3-
InChIKeyMQXJPXUTLVFPDC-CLTKARDFSA-N
MW187.29 g/mol
LogP3.57
Rot. Bonds2

About 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole

3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole (PubChem CID 138463811) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole
PubChem CID138463811
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole
SMILESC=Cc1c(/C=C\C)[nH]c2c1CCCC2
InChIInChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h3-4,7,14H,2,5-6,8-9H2,1H3/b7-3-
InChIKeyMQXJPXUTLVFPDC-CLTKARDFSA-N
XLogP3.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-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-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole (CID 138463811) is 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole is C=Cc1c(/C=C\C)[nH]c2c1CCCC2.
What is the InChIKey of 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is MQXJPXUTLVFPDC-CLTKARDFSA-N. The full InChI is InChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h3-4,7,14H,2,5-6,8-9H2,1H3/b7-3-.
What are the key properties of 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole?
3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 187.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 138463811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).