7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C16H27NO — CID 106651406

IUPAC7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(C2=CCCCCCC2)CCN2CCCC2C1
InChIInChI=1S/C16H27NO/c18-16(14-7-4-2-1-3-5-8-14)10-12-17-11-6-9-15(17)13-16/h7,15,18H,1-6,8-13H2
InChIKeyZIMBUJFOMYIHLJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.26
Rot. Bonds1

About 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 106651406) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID106651406
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(C2=CCCCCCC2)CCN2CCCC2C1
InChIInChI=1S/C16H27NO/c18-16(14-7-4-2-1-3-5-8-14)10-12-17-11-6-9-15(17)13-16/h7,15,18H,1-6,8-13H2
InChIKeyZIMBUJFOMYIHLJ-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol with MolForge

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Related Compounds

7-prop-1-en-2-yl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611327
7-(2-methylprop-1-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611936
7-ethenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81612421
1-prop-1-en-2-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886572
1-(2-methylprop-1-enyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886676
2-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613769
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
CID 106650845
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cycloocten-1-yl)-1-propylpiperidin-4-ol
CID 106650851
4-(Cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650853
4-(Cyclohexen-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650854
4-(Cyclohepten-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650855

Frequently Asked Questions

What is the IUPAC name of 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 106651406) is 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is OC1(C2=CCCCCCC2)CCN2CCCC2C1.
What is the InChIKey of 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is ZIMBUJFOMYIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-16(14-7-4-2-1-3-5-8-14)10-12-17-11-6-9-15(17)13-16/h7,15,18H,1-6,8-13H2.
What are the key properties of 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 249.40 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cycloocten-1-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 106651406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).