2-formyl-N-methylprop-2-enamide

C5H7NO2 — CID 19992099

IUPAC2-formyl-N-methylprop-2-enamide
SMILESC=C(C=O)C(=O)NC
InChIInChI=1S/C5H7NO2/c1-4(3-7)5(8)6-2/h3H,1H2,2H3,(H,6,8)
InChIKeySEQKADQABBICQE-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.51
Rot. Bonds2

About 2-formyl-N-methylprop-2-enamide

2-formyl-N-methylprop-2-enamide (PubChem CID 19992099) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-formyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-formyl-N-methylprop-2-enamide
PubChem CID19992099
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-formyl-N-methylprop-2-enamide
SMILESC=C(C=O)C(=O)NC
InChIInChI=1S/C5H7NO2/c1-4(3-7)5(8)6-2/h3H,1H2,2H3,(H,6,8)
InChIKeySEQKADQABBICQE-UHFFFAOYSA-N
XLogP-0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methylprop-2-enamide?
The IUPAC name of 2-formyl-N-methylprop-2-enamide (CID 19992099) is 2-formyl-N-methylprop-2-enamide.
What is the SMILES notation for 2-formyl-N-methylprop-2-enamide?
The canonical SMILES for 2-formyl-N-methylprop-2-enamide is C=C(C=O)C(=O)NC.
What is the InChIKey of 2-formyl-N-methylprop-2-enamide?
The InChIKey is SEQKADQABBICQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4(3-7)5(8)6-2/h3H,1H2,2H3,(H,6,8).
What are the key properties of 2-formyl-N-methylprop-2-enamide?
2-formyl-N-methylprop-2-enamide has a molecular weight of 113.12 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methylprop-2-enamide is sourced from PubChem (CID 19992099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).