2-ethyl-3,4,5-trimethyl-1H-pyrrole

C9H15N — CID 578993

IUPAC2-ethyl-3,4,5-trimethyl-1H-pyrrole
SMILESCCc1[nH]c(C)c(C)c1C
InChIInChI=1S/C9H15N/c1-5-9-7(3)6(2)8(4)10-9/h10H,5H2,1-4H3
InChIKeyCOLWCZJTSIGRQI-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.50
Rot. Bonds1

About 2-ethyl-3,4,5-trimethyl-1H-pyrrole

2-ethyl-3,4,5-trimethyl-1H-pyrrole (PubChem CID 578993) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethyl-1H-pyrrole
PubChem CID578993
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-ethyl-3,4,5-trimethyl-1H-pyrrole
SMILESCCc1[nH]c(C)c(C)c1C
InChIInChI=1S/C9H15N/c1-5-9-7(3)6(2)8(4)10-9/h10H,5H2,1-4H3
InChIKeyCOLWCZJTSIGRQI-UHFFFAOYSA-N
XLogP2.50
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethyl-1H-pyrrole?
The IUPAC name of 2-ethyl-3,4,5-trimethyl-1H-pyrrole (CID 578993) is 2-ethyl-3,4,5-trimethyl-1H-pyrrole.
What is the SMILES notation for 2-ethyl-3,4,5-trimethyl-1H-pyrrole?
The canonical SMILES for 2-ethyl-3,4,5-trimethyl-1H-pyrrole is CCc1[nH]c(C)c(C)c1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethyl-1H-pyrrole?
The InChIKey is COLWCZJTSIGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9-7(3)6(2)8(4)10-9/h10H,5H2,1-4H3.
What are the key properties of 2-ethyl-3,4,5-trimethyl-1H-pyrrole?
2-ethyl-3,4,5-trimethyl-1H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethyl-1H-pyrrole is sourced from PubChem (CID 578993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).