(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C37H39NO3 — CID 10918621

IUPAC(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCCCC[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H39NO3/c1-2-3-16-30(29-17-8-4-9-18-29)27-36(40)38-34(25-26-35(38)39)28-41-37(31-19-10-5-11-20-31,32-21-12-6-13-22-32)33-23-14-7-15-24-33/h4-15,17-24,30,34H,2-3,16,25-28H2,1H3/t30-,34-/m0/s1
InChIKeyWWYHPRCYIDLEGQ-NHZFLZHXSA-N
MW545.72 g/mol
LogP7.88
Rot. Bonds12

About (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10918621) has the molecular formula C37H39NO3 and a molecular weight of 545.72 g/mol. Its IUPAC name is (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10918621
Molecular FormulaC37H39NO3
Molecular Weight545.72 g/mol
Exact Mass545.29
IUPAC Name(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCCCC[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H39NO3/c1-2-3-16-30(29-17-8-4-9-18-29)27-36(40)38-34(25-26-35(38)39)28-41-37(31-19-10-5-11-20-31,32-21-12-6-13-22-32)33-23-14-7-15-24-33/h4-15,17-24,30,34H,2-3,16,25-28H2,1H3/t30-,34-/m0/s1
InChIKeyWWYHPRCYIDLEGQ-NHZFLZHXSA-N
XLogP7.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.72
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13592840
Cycloclausenamide
CID 13592842
(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
(1R,3R,4R,7R)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 163016147
(2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
CID 56932060
(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10906067
(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10927791
benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
CID 11827968
(4R-cis)-3-[(5H-Dibenzo[a,d]cyclohepten-5-yl)acetyl]-4-methyl-5 phenyl-2-oxazolidinone
CID 22848811
(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
CID 22949804

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10918621) is (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is CCCC[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is WWYHPRCYIDLEGQ-NHZFLZHXSA-N. The full InChI is InChI=1S/C37H39NO3/c1-2-3-16-30(29-17-8-4-9-18-29)27-36(40)38-34(25-26-35(38)39)28-41-37(31-19-10-5-11-20-31,32-21-12-6-13-22-32)33-23-14-7-15-24-33/h4-15,17-24,30,34H,2-3,16,25-28H2,1H3/t30-,34-/m0/s1.
What are the key properties of (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 545.72 g/mol, XLogP of 7.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10918621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).