2-oxoethyl (Z)-N-methylbut-2-enimidate

C7H11NO2 — CID 145058531

IUPAC2-oxoethyl (Z)-N-methylbut-2-enimidate
SMILESC/C=C\C(=N/C)OCC=O
InChIInChI=1S/C7H11NO2/c1-3-4-7(8-2)10-6-5-9/h3-5H,6H2,1-2H3/b4-3-,8-7+
InChIKeyZBMLHQBEDSWEOM-ODYTWBPASA-N
MW141.17 g/mol
LogP0.81
Rot. Bonds3

About 2-oxoethyl (Z)-N-methylbut-2-enimidate

2-oxoethyl (Z)-N-methylbut-2-enimidate (PubChem CID 145058531) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-oxoethyl (Z)-N-methylbut-2-enimidate.

Molecular Properties

Compound Name2-oxoethyl (Z)-N-methylbut-2-enimidate
PubChem CID145058531
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-oxoethyl (Z)-N-methylbut-2-enimidate
SMILESC/C=C\C(=N/C)OCC=O
InChIInChI=1S/C7H11NO2/c1-3-4-7(8-2)10-6-5-9/h3-5H,6H2,1-2H3/b4-3-,8-7+
InChIKeyZBMLHQBEDSWEOM-ODYTWBPASA-N
XLogP0.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 2-oxoethyl carbonate
CID 20662885
2-oxoethyl 2-oxopropanoate
CID 87383810
2-oxoethyl N-ethyl-N-methylcarbamate
CID 174878771
ethyl 2-oxoethyl carbonate
CID 87169722
(Z)-2-methyliminopent-3-enamide
CID 126689701
ethane;(Z)-2-methyliminopent-3-en-1-amine
CID 144600133
4-O-(2-methylprop-2-enoyl) 1-O-(2-oxoethyl) (Z)-but-2-enedioate
CID 87846210
methyl (Z)-N-ethylbut-2-enimidate
CID 177000194
2-oxoethyl 2-(dimethylamino)acetate
CID 142750400
(2-amino-2-methylpropyl) (Z)-N-methylpent-2-enimidate
CID 142264818
2-hydroperoxyacetaldehyde
CID 54491146
(3-bromophenyl) (Z)-N-methylbut-2-enimidate
CID 143672328

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl (Z)-N-methylbut-2-enimidate?
The IUPAC name of 2-oxoethyl (Z)-N-methylbut-2-enimidate (CID 145058531) is 2-oxoethyl (Z)-N-methylbut-2-enimidate.
What is the SMILES notation for 2-oxoethyl (Z)-N-methylbut-2-enimidate?
The canonical SMILES for 2-oxoethyl (Z)-N-methylbut-2-enimidate is C/C=C\C(=N/C)OCC=O.
What is the InChIKey of 2-oxoethyl (Z)-N-methylbut-2-enimidate?
The InChIKey is ZBMLHQBEDSWEOM-ODYTWBPASA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-7(8-2)10-6-5-9/h3-5H,6H2,1-2H3/b4-3-,8-7+.
What are the key properties of 2-oxoethyl (Z)-N-methylbut-2-enimidate?
2-oxoethyl (Z)-N-methylbut-2-enimidate has a molecular weight of 141.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl (Z)-N-methylbut-2-enimidate is sourced from PubChem (CID 145058531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).