N-(deuteriomethyl)prop-2-enamide

C4H7NO — CID 140611365

IUPACN-(deuteriomethyl)prop-2-enamide
SMILES[2H]CNC(=O)C=C
InChIInChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)/i2D
InChIKeyYPHQUSNPXDGUHL-VMNATFBRSA-N
MW86.11 g/mol
LogP-0.08
Rot. Bonds2

About N-(deuteriomethyl)prop-2-enamide

N-(deuteriomethyl)prop-2-enamide (PubChem CID 140611365) has the molecular formula C4H7NO and a molecular weight of 86.11 g/mol. Its IUPAC name is N-(deuteriomethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(deuteriomethyl)prop-2-enamide
PubChem CID140611365
Molecular FormulaC4H7NO
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC NameN-(deuteriomethyl)prop-2-enamide
SMILES[2H]CNC(=O)C=C
InChIInChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)/i2D
InChIKeyYPHQUSNPXDGUHL-VMNATFBRSA-N
XLogP-0.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(deuteriomethyl)prop-2-enamide?
The IUPAC name of N-(deuteriomethyl)prop-2-enamide (CID 140611365) is N-(deuteriomethyl)prop-2-enamide.
What is the SMILES notation for N-(deuteriomethyl)prop-2-enamide?
The canonical SMILES for N-(deuteriomethyl)prop-2-enamide is [2H]CNC(=O)C=C.
What is the InChIKey of N-(deuteriomethyl)prop-2-enamide?
The InChIKey is YPHQUSNPXDGUHL-VMNATFBRSA-N. The full InChI is InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)/i2D.
What are the key properties of N-(deuteriomethyl)prop-2-enamide?
N-(deuteriomethyl)prop-2-enamide has a molecular weight of 86.11 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(deuteriomethyl)prop-2-enamide is sourced from PubChem (CID 140611365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).