1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one

C21H31NO2Si — CID 13258743

IUPAC1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one
SMILESCCOC1CC(CCC#CC[Si](C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H31NO2Si/c1-5-24-20-16-19(14-10-7-11-15-25(2,3)4)21(23)22(20)17-18-12-8-6-9-13-18/h6,8-9,12-13,19-20H,5,10,14-17H2,1-4H3
InChIKeyNFRSBWJIPLKZRW-UHFFFAOYSA-N
MW357.57 g/mol
LogP4.52
Rot. Bonds7

About 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one

1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one (PubChem CID 13258743) has the molecular formula C21H31NO2Si and a molecular weight of 357.57 g/mol. Its IUPAC name is 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one
PubChem CID13258743
Molecular FormulaC21H31NO2Si
Molecular Weight357.57 g/mol
Exact Mass357.21
IUPAC Name1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one
SMILESCCOC1CC(CCC#CC[Si](C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H31NO2Si/c1-5-24-20-16-19(14-10-7-11-15-25(2,3)4)21(23)22(20)17-18-12-8-6-9-13-18/h6,8-9,12-13,19-20H,5,10,14-17H2,1-4H3
InChIKeyNFRSBWJIPLKZRW-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)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

2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
2-Pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-
CID 3077959
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-butoxypyrrolidin-2-one
CID 3077961
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962
2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077963
2-Pyrrolidinone, 5-(heptyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077964
1-Benzyl-5-(octyloxy)pyrrolidin-2-one
CID 3077965
2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
CID 3077972
2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
CID 3077973
2-Pyrrolidinone, 5-(nonyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077975
1-Benzyl-5-(decyloxy)pyrrolidin-2-one
CID 3077976

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one (CID 13258743) is 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one is CCOC1CC(CCC#CC[Si](C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one?
The InChIKey is NFRSBWJIPLKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2Si/c1-5-24-20-16-19(14-10-7-11-15-25(2,3)4)21(23)22(20)17-18-12-8-6-9-13-18/h6,8-9,12-13,19-20H,5,10,14-17H2,1-4H3.
What are the key properties of 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one?
1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one has a molecular weight of 357.57 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 13258743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).