3,4-diethyl-1-(4-methoxyphenyl)pyrrole

C15H19NO — CID 102040719

IUPAC3,4-diethyl-1-(4-methoxyphenyl)pyrrole
SMILESCCc1cn(-c2ccc(OC)cc2)cc1CC
InChIInChI=1S/C15H19NO/c1-4-12-10-16(11-13(12)5-2)14-6-8-15(17-3)9-7-14/h6-11H,4-5H2,1-3H3
InChIKeyLMXUETGCFHNVPI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.61
Rot. Bonds4

About 3,4-diethyl-1-(4-methoxyphenyl)pyrrole

3,4-diethyl-1-(4-methoxyphenyl)pyrrole (PubChem CID 102040719) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3,4-diethyl-1-(4-methoxyphenyl)pyrrole.

Molecular Properties

Compound Name3,4-diethyl-1-(4-methoxyphenyl)pyrrole
PubChem CID102040719
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3,4-diethyl-1-(4-methoxyphenyl)pyrrole
SMILESCCc1cn(-c2ccc(OC)cc2)cc1CC
InChIInChI=1S/C15H19NO/c1-4-12-10-16(11-13(12)5-2)14-6-8-15(17-3)9-7-14/h6-11H,4-5H2,1-3H3
InChIKeyLMXUETGCFHNVPI-UHFFFAOYSA-N
XLogP3.61
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-(4-methoxyphenyl)pyrrole?
The IUPAC name of 3,4-diethyl-1-(4-methoxyphenyl)pyrrole (CID 102040719) is 3,4-diethyl-1-(4-methoxyphenyl)pyrrole.
What is the SMILES notation for 3,4-diethyl-1-(4-methoxyphenyl)pyrrole?
The canonical SMILES for 3,4-diethyl-1-(4-methoxyphenyl)pyrrole is CCc1cn(-c2ccc(OC)cc2)cc1CC.
What is the InChIKey of 3,4-diethyl-1-(4-methoxyphenyl)pyrrole?
The InChIKey is LMXUETGCFHNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-12-10-16(11-13(12)5-2)14-6-8-15(17-3)9-7-14/h6-11H,4-5H2,1-3H3.
What are the key properties of 3,4-diethyl-1-(4-methoxyphenyl)pyrrole?
3,4-diethyl-1-(4-methoxyphenyl)pyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-(4-methoxyphenyl)pyrrole is sourced from PubChem (CID 102040719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).