2-ethyl-1-methylpyrrole

C7H11N — CID 529076

IUPAC2-ethyl-1-methylpyrrole
SMILESCCc1cccn1C
InChIInChI=1S/C7H11N/c1-3-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3
InChIKeyNRFLRWJZUPDSLT-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.59
Rot. Bonds1

About 2-ethyl-1-methylpyrrole

2-ethyl-1-methylpyrrole (PubChem CID 529076) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethyl-1-methylpyrrole.

Molecular Properties

Compound Name2-ethyl-1-methylpyrrole
PubChem CID529076
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethyl-1-methylpyrrole
SMILESCCc1cccn1C
InChIInChI=1S/C7H11N/c1-3-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3
InChIKeyNRFLRWJZUPDSLT-UHFFFAOYSA-N
XLogP1.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylpyrrole?
The IUPAC name of 2-ethyl-1-methylpyrrole (CID 529076) is 2-ethyl-1-methylpyrrole.
What is the SMILES notation for 2-ethyl-1-methylpyrrole?
The canonical SMILES for 2-ethyl-1-methylpyrrole is CCc1cccn1C.
What is the InChIKey of 2-ethyl-1-methylpyrrole?
The InChIKey is NRFLRWJZUPDSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methylpyrrole?
2-ethyl-1-methylpyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylpyrrole is sourced from PubChem (CID 529076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).