(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide

C8H11N3O4 — CID 166810967

IUPAC(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide
SMILESCN(CC(=O)NNC=O)C(=O)/C=C\C=O
InChIInChI=1S/C8H11N3O4/c1-11(8(15)3-2-4-12)5-7(14)10-9-6-13/h2-4,6H,5H2,1H3,(H,9,13)(H,10,14)/b3-2-
InChIKeyIPJMKZFOGVOAMR-IHWYPQMZSA-N
MW213.19 g/mol
LogP-2.02
Rot. Bonds6

About (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide

(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide (PubChem CID 166810967) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide
PubChem CID166810967
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide
SMILESCN(CC(=O)NNC=O)C(=O)/C=C\C=O
InChIInChI=1S/C8H11N3O4/c1-11(8(15)3-2-4-12)5-7(14)10-9-6-13/h2-4,6H,5H2,1H3,(H,9,13)(H,10,14)/b3-2-
InChIKeyIPJMKZFOGVOAMR-IHWYPQMZSA-N
XLogP-2.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide (CID 166810967) is (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide is CN(CC(=O)NNC=O)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide?
The InChIKey is IPJMKZFOGVOAMR-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11(8(15)3-2-4-12)5-7(14)10-9-6-13/h2-4,6H,5H2,1H3,(H,9,13)(H,10,14)/b3-2-.
What are the key properties of (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide?
(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide has a molecular weight of 213.19 g/mol, XLogP of -2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide is sourced from PubChem (CID 166810967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).