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

C8H13NO3 — CID 130961806

IUPAC(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@]1(O)[C@H](O)CN2C(=O)CC[C@H]21
InChIInChI=1S/C8H13NO3/c1-8(12)5-2-3-7(11)9(5)4-6(8)10/h5-6,10,12H,2-4H2,1H3/t5-,6+,8-/m0/s1
InChIKeyMBBJYCCLKLLIOZ-BBVRLYRLSA-N
MW171.20 g/mol
LogP-0.90
Rot. Bonds

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

(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 130961806) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID130961806
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@]1(O)[C@H](O)CN2C(=O)CC[C@H]21
InChIInChI=1S/C8H13NO3/c1-8(12)5-2-3-7(11)9(5)4-6(8)10/h5-6,10,12H,2-4H2,1H3/t5-,6+,8-/m0/s1
InChIKeyMBBJYCCLKLLIOZ-BBVRLYRLSA-N
XLogP-0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one with MolForge

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Related Compounds

1,2-dihydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 44406622
Rel-(2R,6R,7aS)-2-fluoro-6-hydroxy-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166137199
(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 24851479
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655
2-fluoro-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 168484872
8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 117272750
8-(hydroxymethyl)-5-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 118109150
8-(hydroxymethyl)-1-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 118109153
(8R)-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 125041337
8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 126658716
(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 155630018

Frequently Asked Questions

What is the IUPAC name of (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 130961806) is (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C[C@@]1(O)[C@H](O)CN2C(=O)CC[C@H]21.
What is the InChIKey of (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is MBBJYCCLKLLIOZ-BBVRLYRLSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(12)5-2-3-7(11)9(5)4-6(8)10/h5-6,10,12H,2-4H2,1H3/t5-,6+,8-/m0/s1.
What are the key properties of (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 130961806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).