(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C10H15NO2 — CID 101370513

IUPAC(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=C(C)[C@@H]1[C@@H](O)CN2C(=O)CC[C@@H]12
InChIInChI=1S/C10H15NO2/c1-6(2)10-7-3-4-9(13)11(7)5-8(10)12/h7-8,10,12H,1,3-5H2,2H3/t7-,8-,10-/m0/s1
InChIKeyYVCXUIORSUCQTI-NRPADANISA-N
MW181.23 g/mol
LogP0.54
Rot. Bonds1

About (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 101370513) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID101370513
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=C(C)[C@@H]1[C@@H](O)CN2C(=O)CC[C@@H]12
InChIInChI=1S/C10H15NO2/c1-6(2)10-7-3-4-9(13)11(7)5-8(10)12/h7-8,10,12H,1,3-5H2,2H3/t7-,8-,10-/m0/s1
InChIKeyYVCXUIORSUCQTI-NRPADANISA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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'}

Analyze (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-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

(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
(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 170314792
7-Ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 175699874
(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
(1R,6S,7S,8S)-6,7-dihydroxy-1-[(E)-prop-1-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71762936
7-Ethenyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73102187
(1R,7R,8S)-7-hydroxy-1-[(E)-prop-1-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73442200
(6S,8R)-6-[(1S)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130762465
(6S,8R)-6-[(1R)-1-hydroxyprop-2-enyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130918415

Frequently Asked Questions

What is the IUPAC name of (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 101370513) is (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C=C(C)[C@@H]1[C@@H](O)CN2C(=O)CC[C@@H]12.
What is the InChIKey of (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is YVCXUIORSUCQTI-NRPADANISA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)10-7-3-4-9(13)11(7)5-8(10)12/h7-8,10,12H,1,3-5H2,2H3/t7-,8-,10-/m0/s1.
What are the key properties of (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 181.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8S)-6-hydroxy-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 101370513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).