N-ethylideneacetamide

C4H7NO — CID 21338179

IUPACN-ethylideneacetamide
SMILESC/C=N/C(C)=O
InChIInChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/b5-3+
InChIKeyGIBNSWPQESNKRG-HWKANZROSA-N
MW85.11 g/mol
LogP0.62
Rot. Bonds

About N-ethylideneacetamide

N-ethylideneacetamide (PubChem CID 21338179) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is N-ethylideneacetamide.

Molecular Properties

Compound NameN-ethylideneacetamide
PubChem CID21338179
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameN-ethylideneacetamide
SMILESC/C=N/C(C)=O
InChIInChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/b5-3+
InChIKeyGIBNSWPQESNKRG-HWKANZROSA-N
XLogP0.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-acetyliminoacetic acid
CID 131637969
acetic acid;1,1-diamino-3-ethylideneurea
CID 175316946
(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
CID 141038532
N-ethylidene-N'-methylethanimidamide
CID 58796711
ethylideneurea;sulfurous acid
CID 174973219
1-(2,2-dihydroxyethylidene)-3-ethylideneurea
CID 141148966
1-ethenyl-3-ethylideneurea
CID 140971164
ethyl (E)-3-(ethylideneamino)-2-methylbut-2-enoate
CID 143807792
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
ethyl (Z)-3-amino-2-(ethylideneamino)but-2-enoate
CID 143409146
(Z)-2-(ethylideneamino)-3-(methylamino)prop-2-enamide
CID 130227471
N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
CID 130370297

Frequently Asked Questions

What is the IUPAC name of N-ethylideneacetamide?
The IUPAC name of N-ethylideneacetamide (CID 21338179) is N-ethylideneacetamide.
What is the SMILES notation for N-ethylideneacetamide?
The canonical SMILES for N-ethylideneacetamide is C/C=N/C(C)=O.
What is the InChIKey of N-ethylideneacetamide?
The InChIKey is GIBNSWPQESNKRG-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/b5-3+.
What are the key properties of N-ethylideneacetamide?
N-ethylideneacetamide has a molecular weight of 85.11 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylideneacetamide is sourced from PubChem (CID 21338179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).