N-methyl-2-methyliminobut-3-enamide

C6H10N2O — CID 142886609

IUPACN-methyl-2-methyliminobut-3-enamide
SMILESC=C/C(=N\C)C(=O)NC
InChIInChI=1S/C6H10N2O/c1-4-5(7-2)6(9)8-3/h4H,1H2,2-3H3,(H,8,9)/b7-5+
InChIKeyICGMIFZMKAOBDB-FNORWQNLSA-N
MW126.16 g/mol
LogP-0.01
Rot. Bonds2

About N-methyl-2-methyliminobut-3-enamide

N-methyl-2-methyliminobut-3-enamide (PubChem CID 142886609) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-methyl-2-methyliminobut-3-enamide.

Molecular Properties

Compound NameN-methyl-2-methyliminobut-3-enamide
PubChem CID142886609
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-methyl-2-methyliminobut-3-enamide
SMILESC=C/C(=N\C)C(=O)NC
InChIInChI=1S/C6H10N2O/c1-4-5(7-2)6(9)8-3/h4H,1H2,2-3H3,(H,8,9)/b7-5+
InChIKeyICGMIFZMKAOBDB-FNORWQNLSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-methyl-2-methyliminobut-3-enamide
CID 132078787
(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
CID 171635643
N-methylazete-2-carboxamide
CID 23164916
2-Methyliminobut-3-enamide
CID 123641945
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-ethenylazete-2-carboxamide
CID 139628977
3-methylimino-1H-pyrrol-2-one
CID 141197218
ethane;3-ethenyl-1H-pyrazin-2-one
CID 144475825
(2E)-2-[ethyl(methyl)hydrazinylidene]-N-methylbut-3-enamide
CID 145062592
(3Z)-N-methyl-2-methyliminohexa-3,5-dienamide
CID 145549418
2-ethenylimino-N-methylbut-3-enamide
CID 166171071
(Z)-2-imino-N-methylhex-3-enamide
CID 166884961

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methyliminobut-3-enamide?
The IUPAC name of N-methyl-2-methyliminobut-3-enamide (CID 142886609) is N-methyl-2-methyliminobut-3-enamide.
What is the SMILES notation for N-methyl-2-methyliminobut-3-enamide?
The canonical SMILES for N-methyl-2-methyliminobut-3-enamide is C=C/C(=N\C)C(=O)NC.
What is the InChIKey of N-methyl-2-methyliminobut-3-enamide?
The InChIKey is ICGMIFZMKAOBDB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-5(7-2)6(9)8-3/h4H,1H2,2-3H3,(H,8,9)/b7-5+.
What are the key properties of N-methyl-2-methyliminobut-3-enamide?
N-methyl-2-methyliminobut-3-enamide has a molecular weight of 126.16 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methyliminobut-3-enamide is sourced from PubChem (CID 142886609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).