(Z)-N-(methyliminomethyl)but-2-enamide

C6H10N2O — CID 126653439

IUPAC(Z)-N-(methyliminomethyl)but-2-enamide
SMILESC/C=C\C(=O)N/C=N/C
InChIInChI=1S/C6H10N2O/c1-3-4-6(9)8-5-7-2/h3-5H,1-2H3,(H,7,8,9)/b4-3-
InChIKeyGCLNNJOFIHKDHL-ARJAWSKDSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds2

About (Z)-N-(methyliminomethyl)but-2-enamide

(Z)-N-(methyliminomethyl)but-2-enamide (PubChem CID 126653439) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-N-(methyliminomethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(methyliminomethyl)but-2-enamide
PubChem CID126653439
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-N-(methyliminomethyl)but-2-enamide
SMILESC/C=C\C(=O)N/C=N/C
InChIInChI=1S/C6H10N2O/c1-3-4-6(9)8-5-7-2/h3-5H,1-2H3,(H,7,8,9)/b4-3-
InChIKeyGCLNNJOFIHKDHL-ARJAWSKDSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethenylbut-2-enamide
CID 121258309
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614
N-(trihydroxymethyl)but-2-enamide
CID 154354345
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
CID 130341577
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
hepta-2,5-dien-4-one
CID 54179619
(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
CID 171813190
methyl N-[(E)-but-2-enoyl]carbamate
CID 16719385
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(methyliminomethyl)but-2-enamide?
The IUPAC name of (Z)-N-(methyliminomethyl)but-2-enamide (CID 126653439) is (Z)-N-(methyliminomethyl)but-2-enamide.
What is the SMILES notation for (Z)-N-(methyliminomethyl)but-2-enamide?
The canonical SMILES for (Z)-N-(methyliminomethyl)but-2-enamide is C/C=C\C(=O)N/C=N/C.
What is the InChIKey of (Z)-N-(methyliminomethyl)but-2-enamide?
The InChIKey is GCLNNJOFIHKDHL-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-6(9)8-5-7-2/h3-5H,1-2H3,(H,7,8,9)/b4-3-.
What are the key properties of (Z)-N-(methyliminomethyl)but-2-enamide?
(Z)-N-(methyliminomethyl)but-2-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methyliminomethyl)but-2-enamide is sourced from PubChem (CID 126653439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).