5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole

C13H13N — CID 70231768

IUPAC5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole
SMILESC=CCC1=C(CC=C)C2=NC=CC2=C1
InChIInChI=1S/C13H13N/c1-3-5-10-9-11-7-8-14-13(11)12(10)6-4-2/h3-4,7-9H,1-2,5-6H2
InChIKeyNSNCZRBEAGEQQZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.34
Rot. Bonds4

About 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole

5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole (PubChem CID 70231768) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole.

Molecular Properties

Compound Name5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole
PubChem CID70231768
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole
SMILESC=CCC1=C(CC=C)C2=NC=CC2=C1
InChIInChI=1S/C13H13N/c1-3-5-10-9-11-7-8-14-13(11)12(10)6-4-2/h3-4,7-9H,1-2,5-6H2
InChIKeyNSNCZRBEAGEQQZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.34
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 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole?
The IUPAC name of 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole (CID 70231768) is 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole.
What is the SMILES notation for 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole?
The canonical SMILES for 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole is C=CCC1=C(CC=C)C2=NC=CC2=C1.
What is the InChIKey of 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole?
The InChIKey is NSNCZRBEAGEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-5-10-9-11-7-8-14-13(11)12(10)6-4-2/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole?
5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole has a molecular weight of 183.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(prop-2-enyl)cyclopenta[b]pyrrole is sourced from PubChem (CID 70231768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).