(1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate

C14H17NO3 — CID 163613761

IUPAC(1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
SMILESCC(OC(=O)N1CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-11(13(16)12-7-3-2-4-8-12)18-14(17)15-9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyHIEYKACFIMKFQO-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.49
Rot. Bonds3

About (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate

(1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate (PubChem CID 163613761) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
PubChem CID163613761
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
SMILESCC(OC(=O)N1CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-11(13(16)12-7-3-2-4-8-12)18-14(17)15-9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyHIEYKACFIMKFQO-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tropine phenylglyoxylate hydrochloride
CID 3049455
Tropine phenylglyoxylate methiodide
CID 3049457
(1,1-difluoro-3-oxo-3-phenylprop-1-en-2-yl) N,N-diethylcarbamate
CID 10956981
[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
CID 138963596
[1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] N,N-dibutylcarbamate
CID 164679587
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
tert-butyl(2R)-2-benzoylmorpholine-4-carboxylate
CID 68598384
phenacyl N,N-diethylcarbamate
CID 138964297
[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
CID 138964366
Tert-butyl 2-(4-fluorobenzoyl)morpholine-4-carboxylate
CID 17979164
(S)-2-(3-fluoro-benzoyl)-morpholine-4-carboxylic acid tert-butyl ester
CID 60051000
(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 67158341

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate (CID 163613761) is (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate is CC(OC(=O)N1CCCC1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate?
The InChIKey is HIEYKACFIMKFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(13(16)12-7-3-2-4-8-12)18-14(17)15-9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate?
(1-oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.49, 3 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) pyrrolidine-1-carboxylate is sourced from PubChem (CID 163613761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).