(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C17H33NO3Si — CID 10639962

IUPAC(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)[Si](O[C@H]1C[C@]2(O)[C@@H](C)CCN2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO3Si/c1-11(2)22(12(3)4,13(5)6)21-15-10-17(20)14(7)8-9-18(17)16(15)19/h11-15,20H,8-10H2,1-7H3/t14-,15-,17-/m0/s1
InChIKeyDTSWNQVKDCTQAJ-ZOBUZTSGSA-N
MW327.54 g/mol
LogP3.51
Rot. Bonds5

About (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 10639962) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID10639962
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Name(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)[Si](O[C@H]1C[C@]2(O)[C@@H](C)CCN2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO3Si/c1-11(2)22(12(3)4,13(5)6)21-15-10-17(20)14(7)8-9-18(17)16(15)19/h11-15,20H,8-10H2,1-7H3/t14-,15-,17-/m0/s1
InChIKeyDTSWNQVKDCTQAJ-ZOBUZTSGSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10805011
(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
(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165162854
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10501255
(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10612188
(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10663988
(1S,2S,8R)-2-hydroxy-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10821065
(2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192240
(1R,2S,8R)-2-hydroxy-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101448339

Frequently Asked Questions

What is the IUPAC name of (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 10639962) is (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)[Si](O[C@H]1C[C@]2(O)[C@@H](C)CCN2C1=O)(C(C)C)C(C)C.
What is the InChIKey of (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is DTSWNQVKDCTQAJ-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-11(2)22(12(3)4,13(5)6)21-15-10-17(20)14(7)8-9-18(17)16(15)19/h11-15,20H,8-10H2,1-7H3/t14-,15-,17-/m0/s1.
What are the key properties of (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 327.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 10639962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).