N-acetyl-2-methyliminoacetamide

C5H8N2O2 — CID 142043007

IUPACN-acetyl-2-methyliminoacetamide
SMILESC/N=C/C(=O)NC(C)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)7-5(9)3-6-2/h3H,1-2H3,(H,7,8,9)/b6-3+
InChIKeyCZRPRPWZGLIQSE-ZZXKWVIFSA-N
MW128.13 g/mol
LogP-0.65
Rot. Bonds1

About N-acetyl-2-methyliminoacetamide

N-acetyl-2-methyliminoacetamide (PubChem CID 142043007) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-acetyl-2-methyliminoacetamide.

Molecular Properties

Compound NameN-acetyl-2-methyliminoacetamide
PubChem CID142043007
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-acetyl-2-methyliminoacetamide
SMILESC/N=C/C(=O)NC(C)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)7-5(9)3-6-2/h3H,1-2H3,(H,7,8,9)/b6-3+
InChIKeyCZRPRPWZGLIQSE-ZZXKWVIFSA-N
XLogP-0.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methyliminoacetic acid
CID 87702194
tris(N-acetylacetamide);gallane
CID 175572719
N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide
CID 142272541
4-methylimino-3-oxobutanoic acid
CID 141059268
N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide
CID 130922732
S-amino N-acetylcarbamothioate
CID 130016422
N,2,3-trimethylbut-2-en-1-imine
CID 123452663
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248
(Z)-3-hydroxy-2-(methyliminomethyl)prop-2-enal
CID 135412629
N,3-dimethyl-1-methyliminobut-2-en-2-amine
CID 142871224
3-hydroxy-2-(methyliminomethyl)prop-2-enal
CID 137181184
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-methyliminoacetamide?
The IUPAC name of N-acetyl-2-methyliminoacetamide (CID 142043007) is N-acetyl-2-methyliminoacetamide.
What is the SMILES notation for N-acetyl-2-methyliminoacetamide?
The canonical SMILES for N-acetyl-2-methyliminoacetamide is C/N=C/C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-2-methyliminoacetamide?
The InChIKey is CZRPRPWZGLIQSE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(8)7-5(9)3-6-2/h3H,1-2H3,(H,7,8,9)/b6-3+.
What are the key properties of N-acetyl-2-methyliminoacetamide?
N-acetyl-2-methyliminoacetamide has a molecular weight of 128.13 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-methyliminoacetamide is sourced from PubChem (CID 142043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).