1-(5-pyrrol-1-ylpentyl)pyrrole

C13H18N2 — CID 139592614

IUPAC1-(5-pyrrol-1-ylpentyl)pyrrole
SMILESc1ccn(CCCCCn2cccc2)c1
InChIInChI=1S/C13H18N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h4-7,10-13H,1-3,8-9H2
InChIKeyCJLOQVYDZWMGTE-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.16
Rot. Bonds6

About 1-(5-pyrrol-1-ylpentyl)pyrrole

1-(5-pyrrol-1-ylpentyl)pyrrole (PubChem CID 139592614) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(5-pyrrol-1-ylpentyl)pyrrole.

Molecular Properties

Compound Name1-(5-pyrrol-1-ylpentyl)pyrrole
PubChem CID139592614
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(5-pyrrol-1-ylpentyl)pyrrole
SMILESc1ccn(CCCCCn2cccc2)c1
InChIInChI=1S/C13H18N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h4-7,10-13H,1-3,8-9H2
InChIKeyCJLOQVYDZWMGTE-UHFFFAOYSA-N
XLogP3.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrrol-1-ylpentyl)pyrrole?
The IUPAC name of 1-(5-pyrrol-1-ylpentyl)pyrrole (CID 139592614) is 1-(5-pyrrol-1-ylpentyl)pyrrole.
What is the SMILES notation for 1-(5-pyrrol-1-ylpentyl)pyrrole?
The canonical SMILES for 1-(5-pyrrol-1-ylpentyl)pyrrole is c1ccn(CCCCCn2cccc2)c1.
What is the InChIKey of 1-(5-pyrrol-1-ylpentyl)pyrrole?
The InChIKey is CJLOQVYDZWMGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h4-7,10-13H,1-3,8-9H2.
What are the key properties of 1-(5-pyrrol-1-ylpentyl)pyrrole?
1-(5-pyrrol-1-ylpentyl)pyrrole has a molecular weight of 202.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrol-1-ylpentyl)pyrrole is sourced from PubChem (CID 139592614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).