(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile

C15H26N2O3Si — CID 24777602

IUPAC(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile
SMILESC=CCN1C(=O)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N
InChIInChI=1S/C15H26N2O3Si/c1-8-9-17-11(10-16)12(13(19-5)14(17)18)20-21(6,7)15(2,3)4/h8,11-13H,1,9H2,2-7H3/t11-,12-,13+/m0/s1
InChIKeyTUFPNZFPOAVAMO-RWMBFGLXSA-N
MW310.47 g/mol
LogP2.31
Rot. Bonds5

About (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile

(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile (PubChem CID 24777602) has the molecular formula C15H26N2O3Si and a molecular weight of 310.47 g/mol. Its IUPAC name is (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile
PubChem CID24777602
Molecular FormulaC15H26N2O3Si
Molecular Weight310.47 g/mol
Exact Mass310.17
IUPAC Name(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile
SMILESC=CCN1C(=O)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N
InChIInChI=1S/C15H26N2O3Si/c1-8-9-17-11(10-16)12(13(19-5)14(17)18)20-21(6,7)15(2,3)4/h8,11-13H,1,9H2,2-7H3/t11-,12-,13+/m0/s1
InChIKeyTUFPNZFPOAVAMO-RWMBFGLXSA-N
XLogP2.31
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
CID 134974886
(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one
CID 11261408
5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 75045772
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725
(3R,4S)-4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidin-2-yl]-3-methoxy-1-(4-methylphenyl)azetidin-2-one
CID 11316741
methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 11504416
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one
CID 11198655
methyl (1R,3S,3aR,6aS)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 101376536
tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 178070071
4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one
CID 139655439
(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one
CID 101065904

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile (CID 24777602) is (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile is C=CCN1C(=O)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N.
What is the InChIKey of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile?
The InChIKey is TUFPNZFPOAVAMO-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H26N2O3Si/c1-8-9-17-11(10-16)12(13(19-5)14(17)18)20-21(6,7)15(2,3)4/h8,11-13H,1,9H2,2-7H3/t11-,12-,13+/m0/s1.
What are the key properties of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile?
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile has a molecular weight of 310.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 24777602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).