ethenol;2-methylprop-2-enamide

C6H11NO2 — CID 87880771

IUPACethenol;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=CO
InChIInChI=1S/C4H7NO.C2H4O/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H2,5,6);2-3H,1H2
InChIKeyNSFKMYBLSISYOF-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.74
Rot. Bonds1

About ethenol;2-methylprop-2-enamide

ethenol;2-methylprop-2-enamide (PubChem CID 87880771) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethenol;2-methylprop-2-enamide.

Molecular Properties

Compound Nameethenol;2-methylprop-2-enamide
PubChem CID87880771
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethenol;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=CO
InChIInChI=1S/C4H7NO.C2H4O/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H2,5,6);2-3H,1H2
InChIKeyNSFKMYBLSISYOF-UHFFFAOYSA-N
XLogP0.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enamide;hydrate
CID 88749193
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
sodium;2-methylprop-2-enamide;propane
CID 159451329
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
but-2-enoyl chloride;2-methylprop-2-enamide
CID 174791232
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831

Frequently Asked Questions

What is the IUPAC name of ethenol;2-methylprop-2-enamide?
The IUPAC name of ethenol;2-methylprop-2-enamide (CID 87880771) is ethenol;2-methylprop-2-enamide.
What is the SMILES notation for ethenol;2-methylprop-2-enamide?
The canonical SMILES for ethenol;2-methylprop-2-enamide is C=C(C)C(N)=O.C=CO.
What is the InChIKey of ethenol;2-methylprop-2-enamide?
The InChIKey is NSFKMYBLSISYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H4O/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H2,5,6);2-3H,1H2.
What are the key properties of ethenol;2-methylprop-2-enamide?
ethenol;2-methylprop-2-enamide has a molecular weight of 129.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;2-methylprop-2-enamide is sourced from PubChem (CID 87880771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).