benzyl 2,2-diphenylpyrrolidine-1-carboxylate

C24H23NO2 — CID 166443554

IUPACbenzyl 2,2-diphenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c26-23(27-19-20-11-4-1-5-12-20)25-18-10-17-24(25,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2
InChIKeyPVWXVDKQWDVUKA-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.36
Rot. Bonds4

About benzyl 2,2-diphenylpyrrolidine-1-carboxylate

benzyl 2,2-diphenylpyrrolidine-1-carboxylate (PubChem CID 166443554) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is benzyl 2,2-diphenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2-diphenylpyrrolidine-1-carboxylate
PubChem CID166443554
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Namebenzyl 2,2-diphenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c26-23(27-19-20-11-4-1-5-12-20)25-18-10-17-24(25,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2
InChIKeyPVWXVDKQWDVUKA-UHFFFAOYSA-N
XLogP5.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
CID 125421522
benzyl 2-benzyl-2-but-3-enylpyrrolidine-1-carboxylate
CID 164853611

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-diphenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2,2-diphenylpyrrolidine-1-carboxylate (CID 166443554) is benzyl 2,2-diphenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2,2-diphenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2,2-diphenylpyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 2,2-diphenylpyrrolidine-1-carboxylate?
The InChIKey is PVWXVDKQWDVUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-23(27-19-20-11-4-1-5-12-20)25-18-10-17-24(25,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2.
What are the key properties of benzyl 2,2-diphenylpyrrolidine-1-carboxylate?
benzyl 2,2-diphenylpyrrolidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-diphenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 166443554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).