N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide

C8H14N2O3 — CID 20534966

IUPACN-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide
SMILESC=CC(=O)NC.C=CC(=O)NCO
InChIInChI=1S/C4H7NO2.C4H7NO/c1-2-4(7)5-3-6;1-3-4(6)5-2/h2,6H,1,3H2,(H,5,7);3H,1H2,2H3,(H,5,6)
InChIKeyRZFZWENUHSEZID-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.84
Rot. Bonds3

About N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide

N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide (PubChem CID 20534966) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide
PubChem CID20534966
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide
SMILESC=CC(=O)NC.C=CC(=O)NCO
InChIInChI=1S/C4H7NO2.C4H7NO/c1-2-4(7)5-3-6;1-3-4(6)5-2/h2,6H,1,3H2,(H,5,7);3H,1H2,2H3,(H,5,6)
InChIKeyRZFZWENUHSEZID-UHFFFAOYSA-N
XLogP-0.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide?
The IUPAC name of N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide (CID 20534966) is N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide.
What is the SMILES notation for N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide?
The canonical SMILES for N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide is C=CC(=O)NC.C=CC(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide?
The InChIKey is RZFZWENUHSEZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C4H7NO/c1-2-4(7)5-3-6;1-3-4(6)5-2/h2,6H,1,3H2,(H,5,7);3H,1H2,2H3,(H,5,6).
What are the key properties of N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide?
N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide has a molecular weight of 186.21 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide is sourced from PubChem (CID 20534966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).