methylphosphonic acid;N-methylprop-2-enamide

C5H12NO4P — CID 160712581

IUPACmethylphosphonic acid;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CP(=O)(O)O
InChIInChI=1S/C4H7NO.CH5O3P/c1-3-4(6)5-2;1-5(2,3)4/h3H,1H2,2H3,(H,5,6);1H3,(H2,2,3,4)
InChIKeyRSBADCVFOYTPRH-UHFFFAOYSA-N
MW181.13 g/mol
LogP-0.29
Rot. Bonds1

About methylphosphonic acid;N-methylprop-2-enamide

methylphosphonic acid;N-methylprop-2-enamide (PubChem CID 160712581) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is methylphosphonic acid;N-methylprop-2-enamide.

Molecular Properties

Compound Namemethylphosphonic acid;N-methylprop-2-enamide
PubChem CID160712581
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Namemethylphosphonic acid;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CP(=O)(O)O
InChIInChI=1S/C4H7NO.CH5O3P/c1-3-4(6)5-2;1-5(2,3)4/h3H,1H2,2H3,(H,5,6);1H3,(H2,2,3,4)
InChIKeyRSBADCVFOYTPRH-UHFFFAOYSA-N
XLogP-0.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methylphosphonic acid;N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanol;bis(N-methylprop-2-enamide)
CID 175170531
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
but-1-ene;N-methylprop-2-enamide
CID 159446883
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
N-(deuteriomethyl)prop-2-enamide
CID 140611365
2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide
CID 175329174

Frequently Asked Questions

What is the IUPAC name of methylphosphonic acid;N-methylprop-2-enamide?
The IUPAC name of methylphosphonic acid;N-methylprop-2-enamide (CID 160712581) is methylphosphonic acid;N-methylprop-2-enamide.
What is the SMILES notation for methylphosphonic acid;N-methylprop-2-enamide?
The canonical SMILES for methylphosphonic acid;N-methylprop-2-enamide is C=CC(=O)NC.CP(=O)(O)O.
What is the InChIKey of methylphosphonic acid;N-methylprop-2-enamide?
The InChIKey is RSBADCVFOYTPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH5O3P/c1-3-4(6)5-2;1-5(2,3)4/h3H,1H2,2H3,(H,5,6);1H3,(H2,2,3,4).
What are the key properties of methylphosphonic acid;N-methylprop-2-enamide?
methylphosphonic acid;N-methylprop-2-enamide has a molecular weight of 181.13 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphonic acid;N-methylprop-2-enamide is sourced from PubChem (CID 160712581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).