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

C10H17NO3 — CID 71762935

IUPAC(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCC[C@H]1CC(=O)N2C[C@H](O)[C@@H](O)[C@H]12
InChIInChI=1S/C10H17NO3/c1-2-3-6-4-8(13)11-5-7(12)10(14)9(6)11/h6-7,9-10,12,14H,2-5H2,1H3/t6-,7-,9-,10+/m0/s1
InChIKeyMLNKVLPOVUDPIC-ZRUAGYDASA-N
MW199.25 g/mol
LogP-0.26
Rot. Bonds2

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

(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 71762935) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID71762935
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCC[C@H]1CC(=O)N2C[C@H](O)[C@@H](O)[C@H]12
InChIInChI=1S/C10H17NO3/c1-2-3-6-4-8(13)11-5-7(12)10(14)9(6)11/h6-7,9-10,12,14H,2-5H2,1H3/t6-,7-,9-,10+/m0/s1
InChIKeyMLNKVLPOVUDPIC-ZRUAGYDASA-N
XLogP-0.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

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Related Compounds

(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
8-(hydroxymethyl)-5-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 118109150
(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 155630018
(6S,8S)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165162938
8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165163038
(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 166137225
(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
CID 167278973
ethane;8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 169182109
ethane;8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 169182676
(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
CID 170037250

Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 71762935) is (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CCC[C@H]1CC(=O)N2C[C@H](O)[C@@H](O)[C@H]12.
What is the InChIKey of (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is MLNKVLPOVUDPIC-ZRUAGYDASA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-6-4-8(13)11-5-7(12)10(14)9(6)11/h6-7,9-10,12,14H,2-5H2,1H3/t6-,7-,9-,10+/m0/s1.
What are the key properties of (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 199.25 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 71762935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).