3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole

C16H22N2 — CID 90349782

IUPAC3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
SMILESCCc1c(C)c(/C=C/c2cccn2C)n(C)c1C
InChIInChI=1S/C16H22N2/c1-6-15-12(2)16(18(5)13(15)3)10-9-14-8-7-11-17(14)4/h7-11H,6H2,1-5H3/b10-9+
InChIKeyNCXQXBIZVTYZKB-MDZDMXLPSA-N
MW242.37 g/mol
LogP3.71
Rot. Bonds3

About 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole

3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole (PubChem CID 90349782) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole.

Molecular Properties

Compound Name3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
PubChem CID90349782
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
SMILESCCc1c(C)c(/C=C/c2cccn2C)n(C)c1C
InChIInChI=1S/C16H22N2/c1-6-15-12(2)16(18(5)13(15)3)10-9-14-8-7-11-17(14)4/h7-11H,6H2,1-5H3/b10-9+
InChIKeyNCXQXBIZVTYZKB-MDZDMXLPSA-N
XLogP3.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
The IUPAC name of 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole (CID 90349782) is 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole.
What is the SMILES notation for 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
The canonical SMILES for 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole is CCc1c(C)c(/C=C/c2cccn2C)n(C)c1C.
What is the InChIKey of 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
The InChIKey is NCXQXBIZVTYZKB-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H22N2/c1-6-15-12(2)16(18(5)13(15)3)10-9-14-8-7-11-17(14)4/h7-11H,6H2,1-5H3/b10-9+.
What are the key properties of 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole has a molecular weight of 242.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole is sourced from PubChem (CID 90349782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).