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

C8H13NO2 — CID 170314792

IUPAC(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@]12CCC(=O)N1C[C@@H](O)C2
InChIInChI=1S/C8H13NO2/c1-8-3-2-7(11)9(8)5-6(10)4-8/h6,10H,2-5H2,1H3/t6-,8-/m0/s1
InChIKeyZPGRNONDSWPTRZ-XPUUQOCRSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 170314792) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID170314792
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@]12CCC(=O)N1C[C@@H](O)C2
InChIInChI=1S/C8H13NO2/c1-8-3-2-7(11)9(8)5-6(10)4-8/h6,10H,2-5H2,1H3/t6-,8-/m0/s1
InChIKeyZPGRNONDSWPTRZ-XPUUQOCRSA-N
XLogP0.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 170314792) is (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is C[C@@]12CCC(=O)N1C[C@@H](O)C2.
What is the InChIKey of (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is ZPGRNONDSWPTRZ-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8-3-2-7(11)9(8)5-6(10)4-8/h6,10H,2-5H2,1H3/t6-,8-/m0/s1.
What are the key properties of (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 170314792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).