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

C8H13NO2 — CID 71410179

IUPAC(7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CCN2C(=O)CC[C@@]12O
InChIInChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3/t6-,8-/m1/s1
InChIKeyFKBQOWSPKBHXFN-HTRCEHHLSA-N
MW155.20 g/mol
LogP0.34
Rot. Bonds

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

(7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 71410179) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID71410179
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CCN2C(=O)CC[C@@]12O
InChIInChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3/t6-,8-/m1/s1
InChIKeyFKBQOWSPKBHXFN-HTRCEHHLSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 71410179) is (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is C[C@@H]1CCN2C(=O)CC[C@@]12O.
What is the InChIKey of (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FKBQOWSPKBHXFN-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3/t6-,8-/m1/s1.
What are the key properties of (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 71410179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).