(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C17H33NO3Si — CID 10663988

IUPAC(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)[Si](OC[C@@H]1CCN2C(=O)CC[C@@]12O)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO3Si/c1-12(2)22(13(3)4,14(5)6)21-11-15-8-10-18-16(19)7-9-17(15,18)20/h12-15,20H,7-11H2,1-6H3/t15-,17+/m0/s1
InChIKeyLMFQDYRMUUZJLV-DOTOQJQBSA-N
MW327.54 g/mol
LogP3.51
Rot. Bonds6

About (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 10663988) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID10663988
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Name(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)[Si](OC[C@@H]1CCN2C(=O)CC[C@@]12O)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO3Si/c1-12(2)22(13(3)4,14(5)6)21-11-15-8-10-18-16(19)7-9-17(15,18)20/h12-15,20H,7-11H2,1-6H3/t15-,17+/m0/s1
InChIKeyLMFQDYRMUUZJLV-DOTOQJQBSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10511372
(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,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
8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15341659
(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
(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10612188
(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11022946
(7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 101002231
(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 (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 10663988) is (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)[Si](OC[C@@H]1CCN2C(=O)CC[C@@]12O)(C(C)C)C(C)C.
What is the InChIKey of (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is LMFQDYRMUUZJLV-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-12(2)22(13(3)4,14(5)6)21-11-15-8-10-18-16(19)7-9-17(15,18)20/h12-15,20H,7-11H2,1-6H3/t15-,17+/m0/s1.
What are the key properties of (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 327.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 10663988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).