5-amino-N-methylidene-2H-pyrrole-4-carboxamide

C6H7N3O — CID 158834192

IUPAC5-amino-N-methylidene-2H-pyrrole-4-carboxamide
SMILESC=NC(=O)C1=CCN=C1N
InChIInChI=1S/C6H7N3O/c1-8-6(10)4-2-3-9-5(4)7/h2H,1,3H2,(H2,7,9)
InChIKeyVWGWSOYLNXISQW-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.49
Rot. Bonds1

About 5-amino-N-methylidene-2H-pyrrole-4-carboxamide

5-amino-N-methylidene-2H-pyrrole-4-carboxamide (PubChem CID 158834192) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-amino-N-methylidene-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methylidene-2H-pyrrole-4-carboxamide
PubChem CID158834192
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name5-amino-N-methylidene-2H-pyrrole-4-carboxamide
SMILESC=NC(=O)C1=CCN=C1N
InChIInChI=1S/C6H7N3O/c1-8-6(10)4-2-3-9-5(4)7/h2H,1,3H2,(H2,7,9)
InChIKeyVWGWSOYLNXISQW-UHFFFAOYSA-N
XLogP-0.49
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-amino-N-methylidene-2H-pyrrole-4-carboxamide?
The IUPAC name of 5-amino-N-methylidene-2H-pyrrole-4-carboxamide (CID 158834192) is 5-amino-N-methylidene-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methylidene-2H-pyrrole-4-carboxamide?
The canonical SMILES for 5-amino-N-methylidene-2H-pyrrole-4-carboxamide is C=NC(=O)C1=CCN=C1N.
What is the InChIKey of 5-amino-N-methylidene-2H-pyrrole-4-carboxamide?
The InChIKey is VWGWSOYLNXISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-8-6(10)4-2-3-9-5(4)7/h2H,1,3H2,(H2,7,9).
What are the key properties of 5-amino-N-methylidene-2H-pyrrole-4-carboxamide?
5-amino-N-methylidene-2H-pyrrole-4-carboxamide has a molecular weight of 137.14 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methylidene-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 158834192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).