2-(ethenylideneamino)-N-methylacetamide

C5H8N2O — CID 123838173

IUPAC2-(ethenylideneamino)-N-methylacetamide
SMILESC=C=NCC(=O)NC
InChIInChI=1S/C5H8N2O/c1-3-7-4-5(8)6-2/h1,4H2,2H3,(H,6,8)
InChIKeyWXDSGMPVYQJDII-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.41
Rot. Bonds2

About 2-(ethenylideneamino)-N-methylacetamide

2-(ethenylideneamino)-N-methylacetamide (PubChem CID 123838173) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(ethenylideneamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(ethenylideneamino)-N-methylacetamide
PubChem CID123838173
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(ethenylideneamino)-N-methylacetamide
SMILESC=C=NCC(=O)NC
InChIInChI=1S/C5H8N2O/c1-3-7-4-5(8)6-2/h1,4H2,2H3,(H,6,8)
InChIKeyWXDSGMPVYQJDII-UHFFFAOYSA-N
XLogP-0.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
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 2-(ethenylideneamino)-N-methylacetamide?
The IUPAC name of 2-(ethenylideneamino)-N-methylacetamide (CID 123838173) is 2-(ethenylideneamino)-N-methylacetamide.
What is the SMILES notation for 2-(ethenylideneamino)-N-methylacetamide?
The canonical SMILES for 2-(ethenylideneamino)-N-methylacetamide is C=C=NCC(=O)NC.
What is the InChIKey of 2-(ethenylideneamino)-N-methylacetamide?
The InChIKey is WXDSGMPVYQJDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-7-4-5(8)6-2/h1,4H2,2H3,(H,6,8).
What are the key properties of 2-(ethenylideneamino)-N-methylacetamide?
2-(ethenylideneamino)-N-methylacetamide has a molecular weight of 112.13 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylideneamino)-N-methylacetamide is sourced from PubChem (CID 123838173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).