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

C7H11NO3 — CID 10583038

IUPAC(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1[C@H](O)[C@@H](O)[C@@H]2CCCN12
InChIInChI=1S/C7H11NO3/c9-5-4-2-1-3-8(4)7(11)6(5)10/h4-6,9-10H,1-3H2/t4-,5-,6+/m0/s1
InChIKeyADSLGPSVITYQPB-HCWXCVPCSA-N
MW157.17 g/mol
LogP-1.29
Rot. Bonds

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

(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 10583038) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID10583038
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1[C@H](O)[C@@H](O)[C@@H]2CCCN12
InChIInChI=1S/C7H11NO3/c9-5-4-2-1-3-8(4)7(11)6(5)10/h4-6,9-10H,1-3H2/t4-,5-,6+/m0/s1
InChIKeyADSLGPSVITYQPB-HCWXCVPCSA-N
XLogP-1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-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

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
(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
(1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro-1H-pyrrolizin-3-one
CID 139083129
6-Hydroxy-5-(hydroxymethyl)tetrahydro-1h-pyrrolizin-3(2h)-one
CID 139953818
(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505447
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
2-hydroxy-dihydro-1H-pyrrolizine-3,5(2H,6H)-dione
CID 13911561

Frequently Asked Questions

What is the IUPAC name of (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 10583038) is (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1[C@H](O)[C@@H](O)[C@@H]2CCCN12.
What is the InChIKey of (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is ADSLGPSVITYQPB-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-4-2-1-3-8(4)7(11)6(5)10/h4-6,9-10H,1-3H2/t4-,5-,6+/m0/s1.
What are the key properties of (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 157.17 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 10583038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).