ethenol;N-prop-2-enylprop-2-enamide

C8H13NO2 — CID 88846304

IUPACethenol;N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=C.C=CO
InChIInChI=1S/C6H9NO.C2H4O/c1-3-5-7-6(8)4-2;1-2-3/h3-4H,1-2,5H2,(H,7,8);2-3H,1H2
InChIKeyUOVLTYJHAIRAEM-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.16
Rot. Bonds3

About ethenol;N-prop-2-enylprop-2-enamide

ethenol;N-prop-2-enylprop-2-enamide (PubChem CID 88846304) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethenol;N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Nameethenol;N-prop-2-enylprop-2-enamide
PubChem CID88846304
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethenol;N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=C.C=CO
InChIInChI=1S/C6H9NO.C2H4O/c1-3-5-7-6(8)4-2;1-2-3/h3-4H,1-2,5H2,(H,7,8);2-3H,1H2
InChIKeyUOVLTYJHAIRAEM-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88793107
CID 173161904
CID 173161904
N-[(E)-pent-2-enyl]prop-2-enamide
CID 131241342
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
prop-2-enylcarbamic acid;hydrate
CID 173458484
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537

Frequently Asked Questions

What is the IUPAC name of ethenol;N-prop-2-enylprop-2-enamide?
The IUPAC name of ethenol;N-prop-2-enylprop-2-enamide (CID 88846304) is ethenol;N-prop-2-enylprop-2-enamide.
What is the SMILES notation for ethenol;N-prop-2-enylprop-2-enamide?
The canonical SMILES for ethenol;N-prop-2-enylprop-2-enamide is C=CCNC(=O)C=C.C=CO.
What is the InChIKey of ethenol;N-prop-2-enylprop-2-enamide?
The InChIKey is UOVLTYJHAIRAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H4O/c1-3-5-7-6(8)4-2;1-2-3/h3-4H,1-2,5H2,(H,7,8);2-3H,1H2.
What are the key properties of ethenol;N-prop-2-enylprop-2-enamide?
ethenol;N-prop-2-enylprop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 88846304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).