1-(4-methoxyphenyl)-2-pentylpyrrole

C16H21NO — CID 86037398

IUPAC1-(4-methoxyphenyl)-2-pentylpyrrole
SMILESCCCCCc1cccn1-c1ccc(OC)cc1
InChIInChI=1S/C16H21NO/c1-3-4-5-7-14-8-6-13-17(14)15-9-11-16(18-2)12-10-15/h6,8-13H,3-5,7H2,1-2H3
InChIKeyBCQSAZWQXYLMAN-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.22
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-pentylpyrrole

1-(4-methoxyphenyl)-2-pentylpyrrole (PubChem CID 86037398) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pentylpyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pentylpyrrole
PubChem CID86037398
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(4-methoxyphenyl)-2-pentylpyrrole
SMILESCCCCCc1cccn1-c1ccc(OC)cc1
InChIInChI=1S/C16H21NO/c1-3-4-5-7-14-8-6-13-17(14)15-9-11-16(18-2)12-10-15/h6,8-13H,3-5,7H2,1-2H3
InChIKeyBCQSAZWQXYLMAN-UHFFFAOYSA-N
XLogP4.22
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.22
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-methoxyphenyl)-2-pentylpyrrole?
The IUPAC name of 1-(4-methoxyphenyl)-2-pentylpyrrole (CID 86037398) is 1-(4-methoxyphenyl)-2-pentylpyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pentylpyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pentylpyrrole is CCCCCc1cccn1-c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pentylpyrrole?
The InChIKey is BCQSAZWQXYLMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-4-5-7-14-8-6-13-17(14)15-9-11-16(18-2)12-10-15/h6,8-13H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pentylpyrrole?
1-(4-methoxyphenyl)-2-pentylpyrrole has a molecular weight of 243.35 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pentylpyrrole is sourced from PubChem (CID 86037398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).