5-prop-2-enylcyclopenta[c]pyrrole

C10H9N — CID 70163046

IUPAC5-prop-2-enylcyclopenta[c]pyrrole
SMILESC=CCC1=CC2=CN=CC2=C1
InChIInChI=1S/C10H9N/c1-2-3-8-4-9-6-11-7-10(9)5-8/h2,4-7H,1,3H2
InChIKeyZEIUBLCNTWXTOD-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.40
Rot. Bonds2

About 5-prop-2-enylcyclopenta[c]pyrrole

5-prop-2-enylcyclopenta[c]pyrrole (PubChem CID 70163046) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-prop-2-enylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-prop-2-enylcyclopenta[c]pyrrole
PubChem CID70163046
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name5-prop-2-enylcyclopenta[c]pyrrole
SMILESC=CCC1=CC2=CN=CC2=C1
InChIInChI=1S/C10H9N/c1-2-3-8-4-9-6-11-7-10(9)5-8/h2,4-7H,1,3H2
InChIKeyZEIUBLCNTWXTOD-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylcyclopenta[c]pyrrole?
The IUPAC name of 5-prop-2-enylcyclopenta[c]pyrrole (CID 70163046) is 5-prop-2-enylcyclopenta[c]pyrrole.
What is the SMILES notation for 5-prop-2-enylcyclopenta[c]pyrrole?
The canonical SMILES for 5-prop-2-enylcyclopenta[c]pyrrole is C=CCC1=CC2=CN=CC2=C1.
What is the InChIKey of 5-prop-2-enylcyclopenta[c]pyrrole?
The InChIKey is ZEIUBLCNTWXTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-3-8-4-9-6-11-7-10(9)5-8/h2,4-7H,1,3H2.
What are the key properties of 5-prop-2-enylcyclopenta[c]pyrrole?
5-prop-2-enylcyclopenta[c]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 5-prop-2-enylcyclopenta[c]pyrrole is sourced from PubChem (CID 70163046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).