1-(6-pyrrol-1-ylhexyl)pyrrole

C14H20N2 — CID 86173528

IUPAC1-(6-pyrrol-1-ylhexyl)pyrrole
SMILESc1ccn(CCCCCCn2cccc2)c1
InChIInChI=1S/C14H20N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h5-8,11-14H,1-4,9-10H2
InChIKeyPWULQTVNJLVEGV-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.55
Rot. Bonds7

About 1-(6-pyrrol-1-ylhexyl)pyrrole

1-(6-pyrrol-1-ylhexyl)pyrrole (PubChem CID 86173528) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(6-pyrrol-1-ylhexyl)pyrrole.

Molecular Properties

Compound Name1-(6-pyrrol-1-ylhexyl)pyrrole
PubChem CID86173528
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(6-pyrrol-1-ylhexyl)pyrrole
SMILESc1ccn(CCCCCCn2cccc2)c1
InChIInChI=1S/C14H20N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h5-8,11-14H,1-4,9-10H2
InChIKeyPWULQTVNJLVEGV-UHFFFAOYSA-N
XLogP3.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.55
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-(6-pyrrol-1-ylhexyl)pyrrole?
The IUPAC name of 1-(6-pyrrol-1-ylhexyl)pyrrole (CID 86173528) is 1-(6-pyrrol-1-ylhexyl)pyrrole.
What is the SMILES notation for 1-(6-pyrrol-1-ylhexyl)pyrrole?
The canonical SMILES for 1-(6-pyrrol-1-ylhexyl)pyrrole is c1ccn(CCCCCCn2cccc2)c1.
What is the InChIKey of 1-(6-pyrrol-1-ylhexyl)pyrrole?
The InChIKey is PWULQTVNJLVEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h5-8,11-14H,1-4,9-10H2.
What are the key properties of 1-(6-pyrrol-1-ylhexyl)pyrrole?
1-(6-pyrrol-1-ylhexyl)pyrrole has a molecular weight of 216.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrol-1-ylhexyl)pyrrole is sourced from PubChem (CID 86173528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).