N-[(E)-ethylideneamino]acetamide

C4H8N2O — CID 11400733

IUPACN-[(E)-ethylideneamino]acetamide
SMILESC/C=N/NC(C)=O
InChIInChI=1S/C4H8N2O/c1-3-5-6-4(2)7/h3H,1-2H3,(H,6,7)/b5-3+
InChIKeySZVNORTXUATKNF-HWKANZROSA-N
MW100.12 g/mol
LogP0.13
Rot. Bonds1

About N-[(E)-ethylideneamino]acetamide

N-[(E)-ethylideneamino]acetamide (PubChem CID 11400733) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]acetamide
PubChem CID11400733
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-[(E)-ethylideneamino]acetamide
SMILESC/C=N/NC(C)=O
InChIInChI=1S/C4H8N2O/c1-3-5-6-4(2)7/h3H,1-2H3,(H,6,7)/b5-3+
InChIKeySZVNORTXUATKNF-HWKANZROSA-N
XLogP0.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-ethylideneamino]acetamide?
The IUPAC name of N-[(E)-ethylideneamino]acetamide (CID 11400733) is N-[(E)-ethylideneamino]acetamide.
What is the SMILES notation for N-[(E)-ethylideneamino]acetamide?
The canonical SMILES for N-[(E)-ethylideneamino]acetamide is C/C=N/NC(C)=O.
What is the InChIKey of N-[(E)-ethylideneamino]acetamide?
The InChIKey is SZVNORTXUATKNF-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-5-6-4(2)7/h3H,1-2H3,(H,6,7)/b5-3+.
What are the key properties of N-[(E)-ethylideneamino]acetamide?
N-[(E)-ethylideneamino]acetamide has a molecular weight of 100.12 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]acetamide is sourced from PubChem (CID 11400733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).