(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C17H33NO2Si — CID 10805011

IUPAC(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)[Si](O[C@H]1C[C@H]2[C@@H](C)CCN2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO2Si/c1-11(2)21(12(3)4,13(5)6)20-16-10-15-14(7)8-9-18(15)17(16)19/h11-16H,8-10H2,1-7H3/t14-,15-,16-/m0/s1
InChIKeyNERAOIAXHZINHU-JYJNAYRXSA-N
MW311.54 g/mol
LogP4.19
Rot. Bonds5

About (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 10805011) has the molecular formula C17H33NO2Si and a molecular weight of 311.54 g/mol. Its IUPAC name is (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID10805011
Molecular FormulaC17H33NO2Si
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)[Si](O[C@H]1C[C@H]2[C@@H](C)CCN2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO2Si/c1-11(2)21(12(3)4,13(5)6)20-16-10-15-14(7)8-9-18(15)17(16)19/h11-16H,8-10H2,1-7H3/t14-,15-,16-/m0/s1
InChIKeyNERAOIAXHZINHU-JYJNAYRXSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10639962
(2S,7R,8R)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10806141
(2S,7R,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192231
5-Ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135070687
(1S,2R,6R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505256
2-t-butyldimethylsilyloxy-dihydro-1H-pyrrolizine-3,5(2H,6H)-dione
CID 13911565
(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
CID 54115482
(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165162854
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 170767569
(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10548156
(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10663988
(2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192240

Frequently Asked Questions

What is the IUPAC name of (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 10805011) is (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)[Si](O[C@H]1C[C@H]2[C@@H](C)CCN2C1=O)(C(C)C)C(C)C.
What is the InChIKey of (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is NERAOIAXHZINHU-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H33NO2Si/c1-11(2)21(12(3)4,13(5)6)20-16-10-15-14(7)8-9-18(15)17(16)19/h11-16H,8-10H2,1-7H3/t14-,15-,16-/m0/s1.
What are the key properties of (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 311.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 10805011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).