1,3-bis(prop-2-enyl)pyrrole

C10H13N — CID 10855619

IUPAC1,3-bis(prop-2-enyl)pyrrole
SMILESC=CCc1ccn(CC=C)c1
InChIInChI=1S/C10H13N/c1-3-5-10-6-8-11(9-10)7-4-2/h3-4,6,8-9H,1-2,5,7H2
InChIKeyXHKJFHKUXQOBEF-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.40
Rot. Bonds4

About 1,3-bis(prop-2-enyl)pyrrole

1,3-bis(prop-2-enyl)pyrrole (PubChem CID 10855619) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)pyrrole.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)pyrrole
PubChem CID10855619
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1,3-bis(prop-2-enyl)pyrrole
SMILESC=CCc1ccn(CC=C)c1
InChIInChI=1S/C10H13N/c1-3-5-10-6-8-11(9-10)7-4-2/h3-4,6,8-9H,1-2,5,7H2
InChIKeyXHKJFHKUXQOBEF-UHFFFAOYSA-N
XLogP2.40
TPSA4.93 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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)pyrrole?
The IUPAC name of 1,3-bis(prop-2-enyl)pyrrole (CID 10855619) is 1,3-bis(prop-2-enyl)pyrrole.
What is the SMILES notation for 1,3-bis(prop-2-enyl)pyrrole?
The canonical SMILES for 1,3-bis(prop-2-enyl)pyrrole is C=CCc1ccn(CC=C)c1.
What is the InChIKey of 1,3-bis(prop-2-enyl)pyrrole?
The InChIKey is XHKJFHKUXQOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-5-10-6-8-11(9-10)7-4-2/h3-4,6,8-9H,1-2,5,7H2.
What are the key properties of 1,3-bis(prop-2-enyl)pyrrole?
1,3-bis(prop-2-enyl)pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)pyrrole is sourced from PubChem (CID 10855619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).