phenyl 2-benzoylpyrrolidine-1-carboxylate

C18H17NO3 — CID 110357683

IUPACphenyl 2-benzoylpyrrolidine-1-carboxylate
SMILESO=C(c1ccccc1)C1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(14-8-3-1-4-9-14)16-12-7-13-19(16)18(21)22-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyCEGFDHZASQBPGR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.53
Rot. Bonds3

About phenyl 2-benzoylpyrrolidine-1-carboxylate

phenyl 2-benzoylpyrrolidine-1-carboxylate (PubChem CID 110357683) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is phenyl 2-benzoylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-benzoylpyrrolidine-1-carboxylate
PubChem CID110357683
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namephenyl 2-benzoylpyrrolidine-1-carboxylate
SMILESO=C(c1ccccc1)C1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(14-8-3-1-4-9-14)16-12-7-13-19(16)18(21)22-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyCEGFDHZASQBPGR-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
2-O-[2-(4-chlorophenyl)-2-oxoethyl] 1-O-phenyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 1120686
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643

Frequently Asked Questions

What is the IUPAC name of phenyl 2-benzoylpyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-benzoylpyrrolidine-1-carboxylate (CID 110357683) is phenyl 2-benzoylpyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-benzoylpyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-benzoylpyrrolidine-1-carboxylate is O=C(c1ccccc1)C1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-benzoylpyrrolidine-1-carboxylate?
The InChIKey is CEGFDHZASQBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(14-8-3-1-4-9-14)16-12-7-13-19(16)18(21)22-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2.
What are the key properties of phenyl 2-benzoylpyrrolidine-1-carboxylate?
phenyl 2-benzoylpyrrolidine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-benzoylpyrrolidine-1-carboxylate is sourced from PubChem (CID 110357683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).