acetyl prop-2-enoate;ethene

C7H10O3 — CID 157340658

IUPACacetyl prop-2-enoate;ethene
SMILESC=C.C=CC(=O)OC(C)=O
InChIInChI=1S/C5H6O3.C2H4/c1-3-5(7)8-4(2)6;1-2/h3H,1H2,2H3;1-2H2
InChIKeyBGIVZPHSSWNYRT-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.06
Rot. Bonds1

About acetyl prop-2-enoate;ethene

acetyl prop-2-enoate;ethene (PubChem CID 157340658) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is acetyl prop-2-enoate;ethene.

Molecular Properties

Compound Nameacetyl prop-2-enoate;ethene
PubChem CID157340658
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameacetyl prop-2-enoate;ethene
SMILESC=C.C=CC(=O)OC(C)=O
InChIInChI=1S/C5H6O3.C2H4/c1-3-5(7)8-4(2)6;1-2/h3H,1H2,2H3;1-2H2
InChIKeyBGIVZPHSSWNYRT-UHFFFAOYSA-N
XLogP1.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;acetyl acetate;acetyl prop-2-enoate;prop-2-enoic acid;prop-2-enoyl prop-2-enoate
CID 174719964
acetyl prop-2-enoate;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175291581
(Z)-4-acetyloxy-4-oxobut-2-enoic acid;prop-2-enoic acid
CID 157496128
buta-1,3-dien-2-yl acetate
CID 13155985
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 87154660
[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl] prop-2-enoate
CID 139618081
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
azane;prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 175698195
[(3E,5E)-6-acetyloxyocta-1,3,5,7-tetraen-3-yl] acetate
CID 145204463
hexa-1,3,4-trien-3-yl acetate
CID 174380602
methyl acetate;trimethyl(prop-2-enoyloxy)azanium
CID 174963465

Frequently Asked Questions

What is the IUPAC name of acetyl prop-2-enoate;ethene?
The IUPAC name of acetyl prop-2-enoate;ethene (CID 157340658) is acetyl prop-2-enoate;ethene.
What is the SMILES notation for acetyl prop-2-enoate;ethene?
The canonical SMILES for acetyl prop-2-enoate;ethene is C=C.C=CC(=O)OC(C)=O.
What is the InChIKey of acetyl prop-2-enoate;ethene?
The InChIKey is BGIVZPHSSWNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C2H4/c1-3-5(7)8-4(2)6;1-2/h3H,1H2,2H3;1-2H2.
What are the key properties of acetyl prop-2-enoate;ethene?
acetyl prop-2-enoate;ethene has a molecular weight of 142.15 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl prop-2-enoate;ethene is sourced from PubChem (CID 157340658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).