(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C10H15NO2 — CID 130762465

IUPAC(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=C[C@H](O)[C@H]1C[C@H]2CCC(=O)N2C1
InChIInChI=1S/C10H15NO2/c1-2-9(12)7-5-8-3-4-10(13)11(8)6-7/h2,7-9,12H,1,3-6H2/t7-,8+,9-/m0/s1
InChIKeyUCCYIFPJJHLJKL-YIZRAAEISA-N
MW181.23 g/mol
LogP0.54
Rot. Bonds2

About (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 130762465) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID130762465
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=C[C@H](O)[C@H]1C[C@H]2CCC(=O)N2C1
InChIInChI=1S/C10H15NO2/c1-2-9(12)7-5-8-3-4-10(13)11(8)6-7/h2,7-9,12H,1,3-6H2/t7-,8+,9-/m0/s1
InChIKeyUCCYIFPJJHLJKL-YIZRAAEISA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,7S,8S)-7-ethenyl-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10997419
(6R,7S,8S)-7-ethenyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11788504
7-Ethenyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73102187
(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101370513
(6S,8R)-6-[(1R)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130918415
(6S,7R,8R)-7-ethenyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 131201889

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 130762465) is (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C=C[C@H](O)[C@H]1C[C@H]2CCC(=O)N2C1.
What is the InChIKey of (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is UCCYIFPJJHLJKL-YIZRAAEISA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-9(12)7-5-8-3-4-10(13)11(8)6-7/h2,7-9,12H,1,3-6H2/t7-,8+,9-/m0/s1.
What are the key properties of (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 181.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 130762465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).