3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H25NO — CID 106650912

IUPAC3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2=CCCCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C15H25NO/c17-15(10-13-8-9-14(11-15)16-13)12-6-4-2-1-3-5-7-12/h6,13-14,16-17H,1-5,7-11H2
InChIKeySUSPYLZNVAQZJI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds1

About 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 106650912) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID106650912
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2=CCCCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C15H25NO/c17-15(10-13-8-9-14(11-15)16-13)12-6-4-2-1-3-5-7-12/h6,13-14,16-17H,1-5,7-11H2
InChIKeySUSPYLZNVAQZJI-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
1-(8-Azabicyclo[3.2.1]octan-3-yl)cyclohexa-2,4-dien-1-ol
CID 149917919
3-Ethenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65416262
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
3-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 79734393
2-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613765
4-(Cycloocten-1-yl)piperidin-4-ol
CID 106650881
4-(Cyclohexen-1-yl)piperidin-4-ol
CID 106650882
4-(Cyclohepten-1-yl)piperidin-4-ol
CID 106650883
3-(Cycloocten-1-yl)piperidin-3-ol
CID 106650906
3-(Cyclohepten-1-yl)piperidin-3-ol
CID 106650908
3-(Cycloocten-1-yl)pyrrolidin-3-ol
CID 106650909

Frequently Asked Questions

What is the IUPAC name of 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 106650912) is 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C2=CCCCCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SUSPYLZNVAQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(10-13-8-9-14(11-15)16-13)12-6-4-2-1-3-5-7-12/h6,13-14,16-17H,1-5,7-11H2.
What are the key properties of 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 235.37 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 106650912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).