1-(4-pyrrol-1-ylbutyl)pyrrole

C12H16N2 — CID 11041512

IUPAC1-(4-pyrrol-1-ylbutyl)pyrrole
SMILESc1ccn(CCCCn2cccc2)c1
InChIInChI=1S/C12H16N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10H,5-6,11-12H2
InChIKeyCSWNUEZMHKKMTI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-pyrrol-1-ylbutyl)pyrrole

1-(4-pyrrol-1-ylbutyl)pyrrole (PubChem CID 11041512) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-pyrrol-1-ylbutyl)pyrrole.

Molecular Properties

Compound Name1-(4-pyrrol-1-ylbutyl)pyrrole
PubChem CID11041512
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(4-pyrrol-1-ylbutyl)pyrrole
SMILESc1ccn(CCCCn2cccc2)c1
InChIInChI=1S/C12H16N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10H,5-6,11-12H2
InChIKeyCSWNUEZMHKKMTI-UHFFFAOYSA-N
XLogP2.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.77
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-(4-pyrrol-1-ylbutyl)pyrrole?
The IUPAC name of 1-(4-pyrrol-1-ylbutyl)pyrrole (CID 11041512) is 1-(4-pyrrol-1-ylbutyl)pyrrole.
What is the SMILES notation for 1-(4-pyrrol-1-ylbutyl)pyrrole?
The canonical SMILES for 1-(4-pyrrol-1-ylbutyl)pyrrole is c1ccn(CCCCn2cccc2)c1.
What is the InChIKey of 1-(4-pyrrol-1-ylbutyl)pyrrole?
The InChIKey is CSWNUEZMHKKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 1-(4-pyrrol-1-ylbutyl)pyrrole?
1-(4-pyrrol-1-ylbutyl)pyrrole has a molecular weight of 188.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrol-1-ylbutyl)pyrrole is sourced from PubChem (CID 11041512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).