(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C31H33NO3 — CID 10994288

IUPAC(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCCCC/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO3/c1-2-3-4-14-21-29(33)32-28(22-23-30(32)34)24-35-31(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-21,28H,2-4,22-24H2,1H3/b21-14+/t28-/m0/s1
InChIKeyHFIDZOJMSNCNRL-BSKIJULFSA-N
MW467.61 g/mol
LogP6.26
Rot. Bonds10

About (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10994288) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10994288
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC Name(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCCCC/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO3/c1-2-3-4-14-21-29(33)32-28(22-23-30(32)34)24-35-31(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-21,28H,2-4,22-24H2,1H3/b21-14+/t28-/m0/s1
InChIKeyHFIDZOJMSNCNRL-BSKIJULFSA-N
XLogP6.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
(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)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992
(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10927791
(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
CID 22949804
tert-butyl (3S,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11016235
1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
CID 59552072
1-[(1R,2R)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
CID 59552165
tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11144938
(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one
CID 11730024

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10994288) is (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one is CCCC/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is HFIDZOJMSNCNRL-BSKIJULFSA-N. The full InChI is InChI=1S/C31H33NO3/c1-2-3-4-14-21-29(33)32-28(22-23-30(32)34)24-35-31(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-21,28H,2-4,22-24H2,1H3/b21-14+/t28-/m0/s1.
What are the key properties of (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 467.61 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10994288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).