(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate

C13H14O3 — CID 55319933

IUPAC(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)C(=O)c1ccccc1
InChIInChI=1S/C13H14O3/c1-9(16-13(15)11-7-8-11)12(14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyJXEQYWUOMVAPJC-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.21
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate

(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate (PubChem CID 55319933) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate
PubChem CID55319933
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)C(=O)c1ccccc1
InChIInChI=1S/C13H14O3/c1-9(16-13(15)11-7-8-11)12(14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyJXEQYWUOMVAPJC-UHFFFAOYSA-N
XLogP2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 167836585
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
1-O-tert-butyl 3-O-(1-oxo-1-phenylpropan-2-yl) piperidine-1,3-dicarboxylate
CID 55443327
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836674
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
CID 139185945
[(2S)-1-oxo-1-phenylpropan-2-yl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004235
(1-oxo-1-phenylpropan-2-yl) 2-bromoacetate
CID 121218288
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 39907801
[(2S)-1-oxo-1-phenylpropan-2-yl] (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 97246692
[(1S)-1-phenylethyl] 4-aminocyclohexane-1-carboxylate
CID 155402407
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836618
[(2R)-1-oxo-1-[4-(4-propylcyclohexyl)phenyl]propan-2-yl] 4-hexylcyclohexane-1-carboxylate
CID 40617742

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate (CID 55319933) is (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate is CC(OC(=O)C1CC1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate?
The InChIKey is JXEQYWUOMVAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9(16-13(15)11-7-8-11)12(14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate?
(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate has a molecular weight of 218.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate is sourced from PubChem (CID 55319933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).