1-ethyl-2H-pyrrol-2-ide

C6H8N- — CID 152748771

IUPAC1-ethyl-2H-pyrrol-2-ide
SMILESCCn1[c-]ccc1
InChIInChI=1S/C6H8N/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3/q-1
InChIKeyONPVJVHLSPQCTD-UHFFFAOYSA-N
MW94.14 g/mol
LogP1.31
Rot. Bonds1

About 1-ethyl-2H-pyrrol-2-ide

1-ethyl-2H-pyrrol-2-ide (PubChem CID 152748771) has the molecular formula C6H8N- and a molecular weight of 94.14 g/mol. Its IUPAC name is 1-ethyl-2H-pyrrol-2-ide.

Molecular Properties

Compound Name1-ethyl-2H-pyrrol-2-ide
PubChem CID152748771
Molecular FormulaC6H8N-
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name1-ethyl-2H-pyrrol-2-ide
SMILESCCn1[c-]ccc1
InChIInChI=1S/C6H8N/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3/q-1
InChIKeyONPVJVHLSPQCTD-UHFFFAOYSA-N
XLogP1.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2H-pyrrol-2-ide?
The IUPAC name of 1-ethyl-2H-pyrrol-2-ide (CID 152748771) is 1-ethyl-2H-pyrrol-2-ide.
What is the SMILES notation for 1-ethyl-2H-pyrrol-2-ide?
The canonical SMILES for 1-ethyl-2H-pyrrol-2-ide is CCn1[c-]ccc1.
What is the InChIKey of 1-ethyl-2H-pyrrol-2-ide?
The InChIKey is ONPVJVHLSPQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3/q-1.
What are the key properties of 1-ethyl-2H-pyrrol-2-ide?
1-ethyl-2H-pyrrol-2-ide has a molecular weight of 94.14 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-pyrrol-2-ide is sourced from PubChem (CID 152748771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).