(Z)-N-methyl-4-(methylideneamino)but-3-enamide

C6H10N2O — CID 90245697

IUPAC(Z)-N-methyl-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\CC(=O)NC
InChIInChI=1S/C6H10N2O/c1-7-5-3-4-6(9)8-2/h3,5H,1,4H2,2H3,(H,8,9)/b5-3-
InChIKeyAIDIEEFIFQPKPY-HYXAFXHYSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds3

About (Z)-N-methyl-4-(methylideneamino)but-3-enamide

(Z)-N-methyl-4-(methylideneamino)but-3-enamide (PubChem CID 90245697) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-N-methyl-4-(methylideneamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-4-(methylideneamino)but-3-enamide
PubChem CID90245697
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-N-methyl-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\CC(=O)NC
InChIInChI=1S/C6H10N2O/c1-7-5-3-4-6(9)8-2/h3,5H,1,4H2,2H3,(H,8,9)/b5-3-
InChIKeyAIDIEEFIFQPKPY-HYXAFXHYSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(methylideneamino)but-3-enamide?
The IUPAC name of (Z)-N-methyl-4-(methylideneamino)but-3-enamide (CID 90245697) is (Z)-N-methyl-4-(methylideneamino)but-3-enamide.
What is the SMILES notation for (Z)-N-methyl-4-(methylideneamino)but-3-enamide?
The canonical SMILES for (Z)-N-methyl-4-(methylideneamino)but-3-enamide is C=N/C=C\CC(=O)NC.
What is the InChIKey of (Z)-N-methyl-4-(methylideneamino)but-3-enamide?
The InChIKey is AIDIEEFIFQPKPY-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-7-5-3-4-6(9)8-2/h3,5H,1,4H2,2H3,(H,8,9)/b5-3-.
What are the key properties of (Z)-N-methyl-4-(methylideneamino)but-3-enamide?
(Z)-N-methyl-4-(methylideneamino)but-3-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(methylideneamino)but-3-enamide is sourced from PubChem (CID 90245697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).