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

C17H33NO2Si — CID 101192240

IUPAC(2S,7S,8R)-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-XHSDSOJGSA-N
MW311.54 g/mol
LogP4.19
Rot. Bonds5

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

(2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 101192240) has the molecular formula C17H33NO2Si and a molecular weight of 311.54 g/mol. Its IUPAC name is (2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID101192240
Molecular FormulaC17H33NO2Si
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name(2S,7S,8R)-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-XHSDSOJGSA-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

2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
CID 42637666
(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10606815
1-methyl-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
CID 151645109
1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970378
(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
CID 67438705
1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 102782297
tri(propan-2-yl)silyl 2-[(9R,9aS)-3-oxo-1,2,5,6,9,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]butanoate
CID 53304296
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
CID 86703131
(2R,3R,4R,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-methyl-5-tri(propan-2-yl)silyloxycycloheptan-1-one
CID 71024078
3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one
CID 127017116
(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 99943828
(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294

Frequently Asked Questions

What is the IUPAC name of (2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 101192240) is (2S,7S,8R)-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,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (2S,7S,8R)-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,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is NERAOIAXHZINHU-XHSDSOJGSA-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,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(2S,7S,8R)-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,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 101192240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).