(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol

C11H19NO — CID 139195361

IUPAC(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
SMILESC=CC[C@H]1[C@@H](O)C[C@H]2CCCCN21
InChIInChI=1S/C11H19NO/c1-2-5-10-11(13)8-9-6-3-4-7-12(9)10/h2,9-11,13H,1,3-8H2/t9-,10+,11+/m1/s1
InChIKeyYTNCUFVCIFTYRU-VWYCJHECSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol

(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol (PubChem CID 139195361) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol.

Molecular Properties

Compound Name(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
PubChem CID139195361
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
SMILESC=CC[C@H]1[C@@H](O)C[C@H]2CCCCN21
InChIInChI=1S/C11H19NO/c1-2-5-10-11(13)8-9-6-3-4-7-12(9)10/h2,9-11,13H,1,3-8H2/t9-,10+,11+/m1/s1
InChIKeyYTNCUFVCIFTYRU-VWYCJHECSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol with MolForge

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Related Compounds

(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
CID 135036729
(1R,3S,8aS)-3-[(Z)-but-1-en-3-ynyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 138966395
(5S,6S,8aR)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 139195362
2-but-3-enyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
CID 329243
2-hex-5-enyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
CID 329244
4-((3R,5R,8aR)-5-(Pent-4-en-1-yl)octahydroindolizin-3-yl)butan-2-ol
CID 91731710
(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 163660256
3-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 5231831
5-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 5231832
(2R,3R,8aS)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 10976110
(5R,6R,8aS)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 12087832
8-Pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 64298778

Frequently Asked Questions

What is the IUPAC name of (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol?
The IUPAC name of (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol (CID 139195361) is (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol.
What is the SMILES notation for (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol?
The canonical SMILES for (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol is C=CC[C@H]1[C@@H](O)C[C@H]2CCCCN21.
What is the InChIKey of (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol?
The InChIKey is YTNCUFVCIFTYRU-VWYCJHECSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-10-11(13)8-9-6-3-4-7-12(9)10/h2,9-11,13H,1,3-8H2/t9-,10+,11+/m1/s1.
What are the key properties of (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol?
(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol is sourced from PubChem (CID 139195361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).