N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide

C7H12N2O2 — CID 134891441

IUPACN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide
SMILESCC(=O)/C(=C/N)N(C)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-5(10)7(4-8)9(3)6(2)11/h4H,8H2,1-3H3/b7-4-
InChIKeyLXBMIWCGCSDEKC-DAXSKMNVSA-N
MW156.18 g/mol
LogP-0.15
Rot. Bonds2

About N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide (PubChem CID 134891441) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide
PubChem CID134891441
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide
SMILESCC(=O)/C(=C/N)N(C)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-5(10)7(4-8)9(3)6(2)11/h4H,8H2,1-3H3/b7-4-
InChIKeyLXBMIWCGCSDEKC-DAXSKMNVSA-N
XLogP-0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide
CID 55288608
n-{1-[1-Amino-meth-(z)-ylidene]-2-oxo-propyl}-n-ethyl-2,2-difluoro-acetamide
CID 87244628
n-{1-[1-Amino-meth-(z)-ylidene]-2-oxo-propyl}-n-ethyl-2,2,2-trifluoro-acetamide
CID 87244785
N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
CID 13483380
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2-(dimethylamino)acetamide
CID 133662996
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide
CID 135052184
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide
CID 135052314
4-(Dimethylamino)-3-(methylamino)but-3-en-2-one
CID 535693
3-Buten-2-one, 4-(dimethylamino)-3-(methylamino)-
CID 5362980
Acetamide, N-(2-dimethylamino-3-oxo-1-butenyl)-
CID 5363162
Acetamide, N-(1-dimethylaminomethylene-2-oxopropyl)-
CID 5374217
N-[(E)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
CID 133668669

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide?
The IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide (CID 134891441) is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide is CC(=O)/C(=C/N)N(C)C(C)=O.
What is the InChIKey of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide?
The InChIKey is LXBMIWCGCSDEKC-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)7(4-8)9(3)6(2)11/h4H,8H2,1-3H3/b7-4-.
What are the key properties of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide?
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide has a molecular weight of 156.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide is sourced from PubChem (CID 134891441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).