2-ethenyliminoethenone

C4H3NO — CID 91564321

IUPAC2-ethenyliminoethenone
SMILESC=CN=C=C=O
InChIInChI=1S/C4H3NO/c1-2-5-3-4-6/h2H,1H2
InChIKeyFRSAPTCHDUNWNB-UHFFFAOYSA-N
MW81.07 g/mol
LogP0.19
Rot. Bonds1

About 2-ethenyliminoethenone

2-ethenyliminoethenone (PubChem CID 91564321) has the molecular formula C4H3NO and a molecular weight of 81.07 g/mol. Its IUPAC name is 2-ethenyliminoethenone.

Molecular Properties

Compound Name2-ethenyliminoethenone
PubChem CID91564321
Molecular FormulaC4H3NO
Molecular Weight81.07 g/mol
Exact Mass81.02
IUPAC Name2-ethenyliminoethenone
SMILESC=CN=C=C=O
InChIInChI=1S/C4H3NO/c1-2-5-3-4-6/h2H,1H2
InChIKeyFRSAPTCHDUNWNB-UHFFFAOYSA-N
XLogP0.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.07
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

isocyanatoethene;methane
CID 162270970
CID 22011647
CID 22011647
2-(oxomethylidene)but-3-enal
CID 173190993
ethenamine;isocyanic acid
CID 174866502
acetaldehyde;carbon dioxide;prop-1-ene
CID 88717372
ethenylsilane;isocyanic acid
CID 172759413
formaldehyde;propa-1,2-dien-1-one
CID 90854168
carbon dioxide;prop-2-enoic acid
CID 91485631
3-isocyanatoselanylprop-1-ene
CID 22372934
2-oxobut-3-enoyl isocyanate
CID 54312002
ethenone;prop-2-en-1-amine
CID 173182769
potassium methanidylimino(oxo)methane
CID 151867234

Frequently Asked Questions

What is the IUPAC name of 2-ethenyliminoethenone?
The IUPAC name of 2-ethenyliminoethenone (CID 91564321) is 2-ethenyliminoethenone.
What is the SMILES notation for 2-ethenyliminoethenone?
The canonical SMILES for 2-ethenyliminoethenone is C=CN=C=C=O.
What is the InChIKey of 2-ethenyliminoethenone?
The InChIKey is FRSAPTCHDUNWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO/c1-2-5-3-4-6/h2H,1H2.
What are the key properties of 2-ethenyliminoethenone?
2-ethenyliminoethenone has a molecular weight of 81.07 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyliminoethenone is sourced from PubChem (CID 91564321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).