(1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C7H11NO4 — CID 139083129

IUPAC(1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1[C@H](O)[C@@H](O)[C@@H]2C[C@@H](O)CN12
InChIInChI=1S/C7H11NO4/c9-3-1-4-5(10)6(11)7(12)8(4)2-3/h3-6,9-11H,1-2H2/t3-,4+,5+,6-/m1/s1
InChIKeyHESYNJWUSQYCCC-DPYQTVNSSA-N
MW173.17 g/mol
LogP-2.32
Rot. Bonds

About (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 139083129) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID139083129
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1[C@H](O)[C@@H](O)[C@@H]2C[C@@H](O)CN12
InChIInChI=1S/C7H11NO4/c9-3-1-4-5(10)6(11)7(12)8(4)2-3/h3-6,9-11H,1-2H2/t3-,4+,5+,6-/m1/s1
InChIKeyHESYNJWUSQYCCC-DPYQTVNSSA-N
XLogP-2.32
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-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
1,2-Dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44406623
(5S,6S,7S,8S)-5-[(1S)-1,2-dihydroxyethyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44424517
(1R,8S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 402681
hydroxyhexahydro-3H-pyrrolizin-3-one
CID 13994056
(1R,2S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101844101
(1R,2S,6R,8R)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102335278
(1S,5R,6R,7R,8R)-1,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134945357
2-hydroxy-dihydro-1H-pyrrolizine-3,5(2H,6H)-dione
CID 13911561
(1R)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 13994058
1,2,6,7-Tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 67342442
(1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 69211100

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 139083129) is (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1[C@H](O)[C@@H](O)[C@@H]2C[C@@H](O)CN12.
What is the InChIKey of (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is HESYNJWUSQYCCC-DPYQTVNSSA-N. The full InChI is InChI=1S/C7H11NO4/c9-3-1-4-5(10)6(11)7(12)8(4)2-3/h3-6,9-11H,1-2H2/t3-,4+,5+,6-/m1/s1.
What are the key properties of (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 173.17 g/mol, XLogP of -2.32, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8S)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 139083129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).