(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one

C21H33NO2Si — CID 134969576

IUPAC(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C21H33NO2Si/c1-7-18(16-24-25(5,6)21(2,3)4)19-13-14-22(20(19)23)15-17-11-9-8-10-12-17/h7-12,18-19H,1,13-16H2,2-6H3/t18?,19-/m1/s1
InChIKeyMHRZELWBGJEUBH-MUMRKEEXSA-N
MW359.59 g/mol
LogP4.86
Rot. Bonds7

About (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one

(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one (PubChem CID 134969576) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one
PubChem CID134969576
Molecular FormulaC21H33NO2Si
Molecular Weight359.59 g/mol
Exact Mass359.23
IUPAC Name(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C21H33NO2Si/c1-7-18(16-24-25(5,6)21(2,3)4)19-13-14-22(20(19)23)15-17-11-9-8-10-12-17/h7-12,18-19H,1,13-16H2,2-6H3/t18?,19-/m1/s1
InChIKeyMHRZELWBGJEUBH-MUMRKEEXSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962
2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077963
3-(2-Hydroxyethyl)-1-(phenylmethyl)-2-pyrrolidinone
CID 12192176
1-Benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one
CID 13258743
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(3aR,7aS)-2-benzyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 101507822
(5S)-1-benzyl-5-methoxypyrrolidin-2-one
CID 134067770
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 135070646
(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one
CID 162416997
(R,Z)-N-benzyl-N-((4R,5R,E)-5-((tert-butyldimethylsilyl)oxy)-4-ethyl-8-methyldec-8-en-1-yl)-2-ethylhept-5-enamide
CID 163319724
(3R,10R,11R,E)-1-benzyl-10-((tert-butyldimethylsilyl)oxy)-3,11-diethyl-7-methylazacyclotetradec-6-en-2-one
CID 163319725

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one (CID 134969576) is (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one is C=CC(CO[Si](C)(C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one?
The InChIKey is MHRZELWBGJEUBH-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H33NO2Si/c1-7-18(16-24-25(5,6)21(2,3)4)19-13-14-22(20(19)23)15-17-11-9-8-10-12-17/h7-12,18-19H,1,13-16H2,2-6H3/t18?,19-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one?
(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one has a molecular weight of 359.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134969576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).