1-ethyl-N-methylidenepyrrole-2-carboxamide

C8H10N2O — CID 155055913

IUPAC1-ethyl-N-methylidenepyrrole-2-carboxamide
SMILESC=NC(=O)c1cccn1CC
InChIInChI=1S/C8H10N2O/c1-3-10-6-4-5-7(10)8(11)9-2/h4-6H,2-3H2,1H3
InChIKeyLUCWZQOZYZQQCU-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.35
Rot. Bonds2

About 1-ethyl-N-methylidenepyrrole-2-carboxamide

1-ethyl-N-methylidenepyrrole-2-carboxamide (PubChem CID 155055913) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-ethyl-N-methylidenepyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methylidenepyrrole-2-carboxamide
PubChem CID155055913
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-ethyl-N-methylidenepyrrole-2-carboxamide
SMILESC=NC(=O)c1cccn1CC
InChIInChI=1S/C8H10N2O/c1-3-10-6-4-5-7(10)8(11)9-2/h4-6H,2-3H2,1H3
InChIKeyLUCWZQOZYZQQCU-UHFFFAOYSA-N
XLogP1.35
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methylidenepyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-methylidenepyrrole-2-carboxamide (CID 155055913) is 1-ethyl-N-methylidenepyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-methylidenepyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-methylidenepyrrole-2-carboxamide is C=NC(=O)c1cccn1CC.
What is the InChIKey of 1-ethyl-N-methylidenepyrrole-2-carboxamide?
The InChIKey is LUCWZQOZYZQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-10-6-4-5-7(10)8(11)9-2/h4-6H,2-3H2,1H3.
What are the key properties of 1-ethyl-N-methylidenepyrrole-2-carboxamide?
1-ethyl-N-methylidenepyrrole-2-carboxamide has a molecular weight of 150.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methylidenepyrrole-2-carboxamide is sourced from PubChem (CID 155055913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).