ethyl 2-acetylcyclopropane-1-carboxylate

C8H12O3 — CID 12537328

IUPACethyl 2-acetylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(C)=O
InChIInChI=1S/C8H12O3/c1-3-11-8(10)7-4-6(7)5(2)9/h6-7H,3-4H2,1-2H3
InChIKeyJWHOQERPMUIEOY-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.77
Rot. Bonds3

About ethyl 2-acetylcyclopropane-1-carboxylate

ethyl 2-acetylcyclopropane-1-carboxylate (PubChem CID 12537328) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 2-acetylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetylcyclopropane-1-carboxylate
PubChem CID12537328
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl 2-acetylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(C)=O
InChIInChI=1S/C8H12O3/c1-3-11-8(10)7-4-6(7)5(2)9/h6-7H,3-4H2,1-2H3
InChIKeyJWHOQERPMUIEOY-UHFFFAOYSA-N
XLogP0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
CID 11423844
2-O-ethyl 1-O-methylsulfonyl cyclopropane-1,2-dicarboxylate
CID 58429045
cis-ethyl (1S,2R)-2-(C-ethoxycarbonimidoyl)cyclopropane-1-carboxylate
CID 138040639
trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate
CID 91198295
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-acetylcyclopropane-1-carboxylate (CID 12537328) is ethyl 2-acetylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-acetylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-acetylcyclopropane-1-carboxylate is CCOC(=O)C1CC1C(C)=O.
What is the InChIKey of ethyl 2-acetylcyclopropane-1-carboxylate?
The InChIKey is JWHOQERPMUIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-11-8(10)7-4-6(7)5(2)9/h6-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-acetylcyclopropane-1-carboxylate?
ethyl 2-acetylcyclopropane-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetylcyclopropane-1-carboxylate is sourced from PubChem (CID 12537328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).