3-prop-2-enylcyclopenta[b]pyrrole

C10H9N — CID 70152721

IUPAC3-prop-2-enylcyclopenta[b]pyrrole
SMILESC=CCC1=C2C=CC=C2N=C1
InChIInChI=1S/C10H9N/c1-2-4-8-7-11-10-6-3-5-9(8)10/h2-3,5-7H,1,4H2
InChIKeyBCRKLDDZNNMMKF-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.40
Rot. Bonds2

About 3-prop-2-enylcyclopenta[b]pyrrole

3-prop-2-enylcyclopenta[b]pyrrole (PubChem CID 70152721) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-prop-2-enylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-prop-2-enylcyclopenta[b]pyrrole
PubChem CID70152721
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name3-prop-2-enylcyclopenta[b]pyrrole
SMILESC=CCC1=C2C=CC=C2N=C1
InChIInChI=1S/C10H9N/c1-2-4-8-7-11-10-6-3-5-9(8)10/h2-3,5-7H,1,4H2
InChIKeyBCRKLDDZNNMMKF-UHFFFAOYSA-N
XLogP2.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylcyclopenta[b]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-prop-2-enylcyclopenta[b]pyrrole?
The IUPAC name of 3-prop-2-enylcyclopenta[b]pyrrole (CID 70152721) is 3-prop-2-enylcyclopenta[b]pyrrole.
What is the SMILES notation for 3-prop-2-enylcyclopenta[b]pyrrole?
The canonical SMILES for 3-prop-2-enylcyclopenta[b]pyrrole is C=CCC1=C2C=CC=C2N=C1.
What is the InChIKey of 3-prop-2-enylcyclopenta[b]pyrrole?
The InChIKey is BCRKLDDZNNMMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-4-8-7-11-10-6-3-5-9(8)10/h2-3,5-7H,1,4H2.
What are the key properties of 3-prop-2-enylcyclopenta[b]pyrrole?
3-prop-2-enylcyclopenta[b]pyrrole has a molecular weight of 143.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylcyclopenta[b]pyrrole is sourced from PubChem (CID 70152721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).