2-[acetyl(methyl)amino]-N-methylprop-2-enamide

C7H12N2O2 — CID 102342339

IUPAC2-[acetyl(methyl)amino]-N-methylprop-2-enamide
SMILESC=C(C(=O)NC)N(C)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-5(7(11)8-3)9(4)6(2)10/h1H2,2-4H3,(H,8,11)
InChIKeyJKPDRXFXXAVFOF-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.28
Rot. Bonds2

About 2-[acetyl(methyl)amino]-N-methylprop-2-enamide

2-[acetyl(methyl)amino]-N-methylprop-2-enamide (PubChem CID 102342339) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-methylprop-2-enamide
PubChem CID102342339
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-[acetyl(methyl)amino]-N-methylprop-2-enamide
SMILESC=C(C(=O)NC)N(C)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-5(7(11)8-3)9(4)6(2)10/h1H2,2-4H3,(H,8,11)
InChIKeyJKPDRXFXXAVFOF-UHFFFAOYSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-N-methylprop-2-enamide
CID 15658709
2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
2-(Methylamino)prop-2-enamide
CID 19776246
1-methyl-3-(methylamino)-1H-pyrrole-2,5-dione
CID 4512325
(Z)-2-acetamido-N-methylbut-2-enamide
CID 15337749
2-Acetamidoprop-2-enamide
CID 21718533
dehydroalanine N-methyl amide
CID 57749610
N-methyl-2-(methylamino)prop-2-enamide
CID 57978903
2-Acetamido-N,N-diethylprop-2-enamide
CID 45119415

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-methylprop-2-enamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-methylprop-2-enamide (CID 102342339) is 2-[acetyl(methyl)amino]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-methylprop-2-enamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-methylprop-2-enamide is C=C(C(=O)NC)N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-methylprop-2-enamide?
The InChIKey is JKPDRXFXXAVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(7(11)8-3)9(4)6(2)10/h1H2,2-4H3,(H,8,11).
What are the key properties of 2-[acetyl(methyl)amino]-N-methylprop-2-enamide?
2-[acetyl(methyl)amino]-N-methylprop-2-enamide has a molecular weight of 156.18 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-methylprop-2-enamide is sourced from PubChem (CID 102342339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).