1-(4-butylphenyl)pyrrole

C14H17N — CID 4715223

IUPAC1-(4-butylphenyl)pyrrole
SMILESCCCCc1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H17N/c1-2-3-6-13-7-9-14(10-8-13)15-11-4-5-12-15/h4-5,7-12H,2-3,6H2,1H3
InChIKeyVRCZCKZILHBDEY-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-butylphenyl)pyrrole

1-(4-butylphenyl)pyrrole (PubChem CID 4715223) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(4-butylphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-butylphenyl)pyrrole
PubChem CID4715223
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-(4-butylphenyl)pyrrole
SMILESCCCCc1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H17N/c1-2-3-6-13-7-9-14(10-8-13)15-11-4-5-12-15/h4-5,7-12H,2-3,6H2,1H3
InChIKeyVRCZCKZILHBDEY-UHFFFAOYSA-N
XLogP3.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)pyrrole?
The IUPAC name of 1-(4-butylphenyl)pyrrole (CID 4715223) is 1-(4-butylphenyl)pyrrole.
What is the SMILES notation for 1-(4-butylphenyl)pyrrole?
The canonical SMILES for 1-(4-butylphenyl)pyrrole is CCCCc1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)pyrrole?
The InChIKey is VRCZCKZILHBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-3-6-13-7-9-14(10-8-13)15-11-4-5-12-15/h4-5,7-12H,2-3,6H2,1H3.
What are the key properties of 1-(4-butylphenyl)pyrrole?
1-(4-butylphenyl)pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)pyrrole is sourced from PubChem (CID 4715223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).