2-ethoxy-1-methylpyrrole

C7H11NO — CID 18622360

IUPAC2-ethoxy-1-methylpyrrole
SMILESCCOc1cccn1C
InChIInChI=1S/C7H11NO/c1-3-9-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3
InChIKeyZKNSBWFYINLEFE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.42
Rot. Bonds2

About 2-ethoxy-1-methylpyrrole

2-ethoxy-1-methylpyrrole (PubChem CID 18622360) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethoxy-1-methylpyrrole.

Molecular Properties

Compound Name2-ethoxy-1-methylpyrrole
PubChem CID18622360
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethoxy-1-methylpyrrole
SMILESCCOc1cccn1C
InChIInChI=1S/C7H11NO/c1-3-9-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3
InChIKeyZKNSBWFYINLEFE-UHFFFAOYSA-N
XLogP1.42
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methylpyrrole?
The IUPAC name of 2-ethoxy-1-methylpyrrole (CID 18622360) is 2-ethoxy-1-methylpyrrole.
What is the SMILES notation for 2-ethoxy-1-methylpyrrole?
The canonical SMILES for 2-ethoxy-1-methylpyrrole is CCOc1cccn1C.
What is the InChIKey of 2-ethoxy-1-methylpyrrole?
The InChIKey is ZKNSBWFYINLEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-9-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1-methylpyrrole?
2-ethoxy-1-methylpyrrole has a molecular weight of 125.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methylpyrrole is sourced from PubChem (CID 18622360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).