N-ethenyl-N'-methyl-2-oxoethanimidamide

C5H8N2O — CID 142130799

IUPACN-ethenyl-N'-methyl-2-oxoethanimidamide
SMILESC=CN/C(C=O)=N/C
InChIInChI=1S/C5H8N2O/c1-3-7-5(4-8)6-2/h3-4H,1H2,2H3,(H,6,7)
InChIKeyMMEXSUVZZOOSTP-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.05
Rot. Bonds2

About N-ethenyl-N'-methyl-2-oxoethanimidamide

N-ethenyl-N'-methyl-2-oxoethanimidamide (PubChem CID 142130799) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-2-oxoethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-2-oxoethanimidamide
PubChem CID142130799
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-ethenyl-N'-methyl-2-oxoethanimidamide
SMILESC=CN/C(C=O)=N/C
InChIInChI=1S/C5H8N2O/c1-3-7-5(4-8)6-2/h3-4H,1H2,2H3,(H,6,7)
InChIKeyMMEXSUVZZOOSTP-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
CID 126606016
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
N-ethenyl-N'-methylcarbamimidoyl bromide
CID 142529780
2-(ethenylamino)-2-methyliminoacetyl chloride
CID 123840567
(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide
CID 123628198
(E)-N-ethenyl-1-(methylideneamino)prop-1-en-2-amine
CID 156715477
N-ethenyl-N'-ethylprop-2-enimidamide;molecular hydrogen
CID 143656468
1-ethenyl-3-ethylideneurea
CID 140971164
N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 142811977
3-methoxy-2-methyliminobut-3-enal
CID 170587442
N-ethenyl-N'-iodoethanimidamide
CID 154530145
N,N-dimethylmethanamine;ethenylcarbamic acid
CID 137498610

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-2-oxoethanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-2-oxoethanimidamide (CID 142130799) is N-ethenyl-N'-methyl-2-oxoethanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-2-oxoethanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-2-oxoethanimidamide is C=CN/C(C=O)=N/C.
What is the InChIKey of N-ethenyl-N'-methyl-2-oxoethanimidamide?
The InChIKey is MMEXSUVZZOOSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-7-5(4-8)6-2/h3-4H,1H2,2H3,(H,6,7).
What are the key properties of N-ethenyl-N'-methyl-2-oxoethanimidamide?
N-ethenyl-N'-methyl-2-oxoethanimidamide has a molecular weight of 112.13 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-2-oxoethanimidamide is sourced from PubChem (CID 142130799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).