3,3-bis(prop-2-enyl)pyrrole

C10H13N — CID 69335800

IUPAC3,3-bis(prop-2-enyl)pyrrole
SMILESC=CCC1(CC=C)C=CN=C1
InChIInChI=1S/C10H13N/c1-3-5-10(6-4-2)7-8-11-9-10/h3-4,7-9H,1-2,5-6H2
InChIKeyHWQCRWHSIISIGZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.72
Rot. Bonds4

About 3,3-bis(prop-2-enyl)pyrrole

3,3-bis(prop-2-enyl)pyrrole (PubChem CID 69335800) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,3-bis(prop-2-enyl)pyrrole.

Molecular Properties

Compound Name3,3-bis(prop-2-enyl)pyrrole
PubChem CID69335800
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,3-bis(prop-2-enyl)pyrrole
SMILESC=CCC1(CC=C)C=CN=C1
InChIInChI=1S/C10H13N/c1-3-5-10(6-4-2)7-8-11-9-10/h3-4,7-9H,1-2,5-6H2
InChIKeyHWQCRWHSIISIGZ-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-bis(prop-2-enyl)pyrrole 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 3,3-bis(prop-2-enyl)pyrrole?
The IUPAC name of 3,3-bis(prop-2-enyl)pyrrole (CID 69335800) is 3,3-bis(prop-2-enyl)pyrrole.
What is the SMILES notation for 3,3-bis(prop-2-enyl)pyrrole?
The canonical SMILES for 3,3-bis(prop-2-enyl)pyrrole is C=CCC1(CC=C)C=CN=C1.
What is the InChIKey of 3,3-bis(prop-2-enyl)pyrrole?
The InChIKey is HWQCRWHSIISIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-5-10(6-4-2)7-8-11-9-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 3,3-bis(prop-2-enyl)pyrrole?
3,3-bis(prop-2-enyl)pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enyl)pyrrole is sourced from PubChem (CID 69335800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).