N-methoxy-2-methylprop-2-enamide

C5H9NO2 — CID 11366971

IUPACN-methoxy-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOC
InChIInChI=1S/C5H9NO2/c1-4(2)5(7)6-8-3/h1H2,2-3H3,(H,6,7)
InChIKeySXEQNYJKZGIDTG-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.24
Rot. Bonds2

About N-methoxy-2-methylprop-2-enamide

N-methoxy-2-methylprop-2-enamide (PubChem CID 11366971) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-methoxy-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-methoxy-2-methylprop-2-enamide
PubChem CID11366971
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-methoxy-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOC
InChIInChI=1S/C5H9NO2/c1-4(2)5(7)6-8-3/h1H2,2-3H3,(H,6,7)
InChIKeySXEQNYJKZGIDTG-UHFFFAOYSA-N
XLogP0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylprop-2-enamide?
The IUPAC name of N-methoxy-2-methylprop-2-enamide (CID 11366971) is N-methoxy-2-methylprop-2-enamide.
What is the SMILES notation for N-methoxy-2-methylprop-2-enamide?
The canonical SMILES for N-methoxy-2-methylprop-2-enamide is C=C(C)C(=O)NOC.
What is the InChIKey of N-methoxy-2-methylprop-2-enamide?
The InChIKey is SXEQNYJKZGIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(2)5(7)6-8-3/h1H2,2-3H3,(H,6,7).
What are the key properties of N-methoxy-2-methylprop-2-enamide?
N-methoxy-2-methylprop-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylprop-2-enamide is sourced from PubChem (CID 11366971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).