2-methyl-N-oxaldehydoylprop-2-enamide

C6H7NO3 — CID 22368874

IUPAC2-methyl-N-oxaldehydoylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)C=O
InChIInChI=1S/C6H7NO3/c1-4(2)6(10)7-5(9)3-8/h3H,1H2,2H3,(H,7,9,10)
InChIKeyKOSQUIDDONYKKE-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.60
Rot. Bonds2

About 2-methyl-N-oxaldehydoylprop-2-enamide

2-methyl-N-oxaldehydoylprop-2-enamide (PubChem CID 22368874) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-methyl-N-oxaldehydoylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-oxaldehydoylprop-2-enamide
PubChem CID22368874
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-methyl-N-oxaldehydoylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)C=O
InChIInChI=1S/C6H7NO3/c1-4(2)6(10)7-5(9)3-8/h3H,1H2,2H3,(H,7,9,10)
InChIKeyKOSQUIDDONYKKE-UHFFFAOYSA-N
XLogP-0.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methacrylamidoacetaldehyde
CID 22616736
2-formyl-N-prop-2-enoylprop-2-enamide
CID 173096374
2-methyl-N-(2-methyl-1-oxopropan-2-yl)prop-2-enamide
CID 174304029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-oxaldehydoylprop-2-enamide?
The IUPAC name of 2-methyl-N-oxaldehydoylprop-2-enamide (CID 22368874) is 2-methyl-N-oxaldehydoylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-oxaldehydoylprop-2-enamide?
The canonical SMILES for 2-methyl-N-oxaldehydoylprop-2-enamide is C=C(C)C(=O)NC(=O)C=O.
What is the InChIKey of 2-methyl-N-oxaldehydoylprop-2-enamide?
The InChIKey is KOSQUIDDONYKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4(2)6(10)7-5(9)3-8/h3H,1H2,2H3,(H,7,9,10).
What are the key properties of 2-methyl-N-oxaldehydoylprop-2-enamide?
2-methyl-N-oxaldehydoylprop-2-enamide has a molecular weight of 141.13 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-oxaldehydoylprop-2-enamide is sourced from PubChem (CID 22368874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).