ethene-1,1-diol;prop-2-enamide

C5H9NO3 — CID 174658864

IUPACethene-1,1-diol;prop-2-enamide
SMILESC=C(O)O.C=CC(N)=O
InChIInChI=1S/C3H5NO.C2H4O2/c1-2-3(4)5;1-2(3)4/h2H,1H2,(H2,4,5);3-4H,1H2
InChIKeyHQHMUCOKHAASOH-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.23
Rot. Bonds1

About ethene-1,1-diol;prop-2-enamide

ethene-1,1-diol;prop-2-enamide (PubChem CID 174658864) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethene-1,1-diol;prop-2-enamide.

Molecular Properties

Compound Nameethene-1,1-diol;prop-2-enamide
PubChem CID174658864
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethene-1,1-diol;prop-2-enamide
SMILESC=C(O)O.C=CC(N)=O
InChIInChI=1S/C3H5NO.C2H4O2/c1-2-3(4)5;1-2(3)4/h2H,1H2,(H2,4,5);3-4H,1H2
InChIKeyHQHMUCOKHAASOH-UHFFFAOYSA-N
XLogP0.23
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
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CID 174943070
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
2-aminoprop-2-enamide;prop-2-enoic acid
CID 173105989
(E)-but-2-enedioic acid;bis(prop-2-enamide)
CID 174486648
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181

Frequently Asked Questions

What is the IUPAC name of ethene-1,1-diol;prop-2-enamide?
The IUPAC name of ethene-1,1-diol;prop-2-enamide (CID 174658864) is ethene-1,1-diol;prop-2-enamide.
What is the SMILES notation for ethene-1,1-diol;prop-2-enamide?
The canonical SMILES for ethene-1,1-diol;prop-2-enamide is C=C(O)O.C=CC(N)=O.
What is the InChIKey of ethene-1,1-diol;prop-2-enamide?
The InChIKey is HQHMUCOKHAASOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2H4O2/c1-2-3(4)5;1-2(3)4/h2H,1H2,(H2,4,5);3-4H,1H2.
What are the key properties of ethene-1,1-diol;prop-2-enamide?
ethene-1,1-diol;prop-2-enamide has a molecular weight of 131.13 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene-1,1-diol;prop-2-enamide is sourced from PubChem (CID 174658864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).