2-methylprop-2-enamide;prop-2-en-1-ol

C7H13NO2 — CID 174804195

IUPAC2-methylprop-2-enamide;prop-2-en-1-ol
SMILESC=C(C)C(N)=O.C=CCO
InChIInChI=1S/C4H7NO.C3H6O/c1-3(2)4(5)6;1-2-3-4/h1H2,2H3,(H2,5,6);2,4H,1,3H2
InChIKeyONIYKCAFMUNUFZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.21
Rot. Bonds2

About 2-methylprop-2-enamide;prop-2-en-1-ol

2-methylprop-2-enamide;prop-2-en-1-ol (PubChem CID 174804195) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methylprop-2-enamide;prop-2-en-1-ol.

Molecular Properties

Compound Name2-methylprop-2-enamide;prop-2-en-1-ol
PubChem CID174804195
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methylprop-2-enamide;prop-2-en-1-ol
SMILESC=C(C)C(N)=O.C=CCO
InChIInChI=1S/C4H7NO.C3H6O/c1-3(2)4(5)6;1-2-3-4/h1H2,2H3,(H2,5,6);2,4H,1,3H2
InChIKeyONIYKCAFMUNUFZ-UHFFFAOYSA-N
XLogP0.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenol;2-methylprop-2-enamide
CID 87880771
2-methylprop-2-enamide;hydrate
CID 88749193
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
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
2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
CID 174416041
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
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256
dodecane;bis(2-methylprop-2-enamide)
CID 87149534

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;prop-2-en-1-ol?
The IUPAC name of 2-methylprop-2-enamide;prop-2-en-1-ol (CID 174804195) is 2-methylprop-2-enamide;prop-2-en-1-ol.
What is the SMILES notation for 2-methylprop-2-enamide;prop-2-en-1-ol?
The canonical SMILES for 2-methylprop-2-enamide;prop-2-en-1-ol is C=C(C)C(N)=O.C=CCO.
What is the InChIKey of 2-methylprop-2-enamide;prop-2-en-1-ol?
The InChIKey is ONIYKCAFMUNUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H6O/c1-3(2)4(5)6;1-2-3-4/h1H2,2H3,(H2,5,6);2,4H,1,3H2.
What are the key properties of 2-methylprop-2-enamide;prop-2-en-1-ol?
2-methylprop-2-enamide;prop-2-en-1-ol has a molecular weight of 143.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;prop-2-en-1-ol is sourced from PubChem (CID 174804195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).