4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol

C17H31NO — CID 91731710

IUPAC4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol
SMILESC=CCCCC1CCCC2CCC(CCC(C)O)N12
InChIInChI=1S/C17H31NO/c1-3-4-5-7-15-8-6-9-16-12-13-17(18(15)16)11-10-14(2)19/h3,14-17,19H,1,4-13H2,2H3
InChIKeyHFZAZMPNNDWEMD-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds7

About 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol

4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol (PubChem CID 91731710) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol
PubChem CID91731710
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol
SMILESC=CCCCC1CCCC2CCC(CCC(C)O)N12
InChIInChI=1S/C17H31NO/c1-3-4-5-7-15-8-6-9-16-12-13-17(18(15)16)11-10-14(2)19/h3,14-17,19H,1,4-13H2,2H3
InChIKeyHFZAZMPNNDWEMD-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol with MolForge

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Related Compounds

(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 139195361
(5S,6S,8aR)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 139195362
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
8-Hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 107010099
1-(1-Hept-6-enylpiperidin-2-yl)propan-2-ol
CID 107011014
1-(1-Pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062

Frequently Asked Questions

What is the IUPAC name of 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol?
The IUPAC name of 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol (CID 91731710) is 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol.
What is the SMILES notation for 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol?
The canonical SMILES for 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol is C=CCCCC1CCCC2CCC(CCC(C)O)N12.
What is the InChIKey of 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol?
The InChIKey is HFZAZMPNNDWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-4-5-7-15-8-6-9-16-12-13-17(18(15)16)11-10-14(2)19/h3,14-17,19H,1,4-13H2,2H3.
What are the key properties of 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol?
4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol has a molecular weight of 265.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-2-ol is sourced from PubChem (CID 91731710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).