4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole

C15H19N — CID 70164061

IUPAC4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole
SMILESC=CCC(CCC)CC1=CC=C2N=CC=C12
InChIInChI=1S/C15H19N/c1-3-5-12(6-4-2)11-13-7-8-15-14(13)9-10-16-15/h3,7-10,12H,1,4-6,11H2,2H3
InChIKeyVQYWGVQUBMKING-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.20
Rot. Bonds6

About 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole

4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole (PubChem CID 70164061) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole.

Molecular Properties

Compound Name4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole
PubChem CID70164061
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole
SMILESC=CCC(CCC)CC1=CC=C2N=CC=C12
InChIInChI=1S/C15H19N/c1-3-5-12(6-4-2)11-13-7-8-15-14(13)9-10-16-15/h3,7-10,12H,1,4-6,11H2,2H3
InChIKeyVQYWGVQUBMKING-UHFFFAOYSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.20
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 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole?
The IUPAC name of 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole (CID 70164061) is 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole.
What is the SMILES notation for 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole?
The canonical SMILES for 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole is C=CCC(CCC)CC1=CC=C2N=CC=C12.
What is the InChIKey of 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole?
The InChIKey is VQYWGVQUBMKING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-5-12(6-4-2)11-13-7-8-15-14(13)9-10-16-15/h3,7-10,12H,1,4-6,11H2,2H3.
What are the key properties of 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole?
4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylpent-4-enyl)cyclopenta[b]pyrrole is sourced from PubChem (CID 70164061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).