3-ethyl-1,2,4-trimethylpyrrole

C9H15N — CID 15707387

IUPAC3-ethyl-1,2,4-trimethylpyrrole
SMILESCCc1c(C)cn(C)c1C
InChIInChI=1S/C9H15N/c1-5-9-7(2)6-10(4)8(9)3/h6H,5H2,1-4H3
InChIKeyGNDJZIVQGWPAKS-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.20
Rot. Bonds1

About 3-ethyl-1,2,4-trimethylpyrrole

3-ethyl-1,2,4-trimethylpyrrole (PubChem CID 15707387) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethyl-1,2,4-trimethylpyrrole.

Molecular Properties

Compound Name3-ethyl-1,2,4-trimethylpyrrole
PubChem CID15707387
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethyl-1,2,4-trimethylpyrrole
SMILESCCc1c(C)cn(C)c1C
InChIInChI=1S/C9H15N/c1-5-9-7(2)6-10(4)8(9)3/h6H,5H2,1-4H3
InChIKeyGNDJZIVQGWPAKS-UHFFFAOYSA-N
XLogP2.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,4-trimethylpyrrole?
The IUPAC name of 3-ethyl-1,2,4-trimethylpyrrole (CID 15707387) is 3-ethyl-1,2,4-trimethylpyrrole.
What is the SMILES notation for 3-ethyl-1,2,4-trimethylpyrrole?
The canonical SMILES for 3-ethyl-1,2,4-trimethylpyrrole is CCc1c(C)cn(C)c1C.
What is the InChIKey of 3-ethyl-1,2,4-trimethylpyrrole?
The InChIKey is GNDJZIVQGWPAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9-7(2)6-10(4)8(9)3/h6H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,2,4-trimethylpyrrole?
3-ethyl-1,2,4-trimethylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,4-trimethylpyrrole is sourced from PubChem (CID 15707387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).