8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol

C13H21NO — CID 115621416

IUPAC8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2C1C=CCCC1
InChIInChI=1S/C13H21NO/c15-13-8-11-6-7-12(9-13)14(11)10-4-2-1-3-5-10/h2,4,10-13,15H,1,3,5-9H2
InChIKeyCQQCWEMEPYGNNX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.08
Rot. Bonds1

About 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol

8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 115621416) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID115621416
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2C1C=CCCC1
InChIInChI=1S/C13H21NO/c15-13-8-11-6-7-12(9-13)14(11)10-4-2-1-3-5-10/h2,4,10-13,15H,1,3,5-9H2
InChIKeyCQQCWEMEPYGNNX-UHFFFAOYSA-N
XLogP2.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-Allyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 16193543
(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-6-EN-3-OL
CID 11094703
8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 564940
6,7-Dehydrotropin
CID 14403146
3-Hydroxy-8-methyl-8-(prop-2-en-1-yl)-8-azoniabicyclo[3.2.1]octane
CID 5003946
3-(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)propan-1-ol
CID 56789989
8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol Hydrochloride
CID 10419695
(5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 59125808
8-(Prop-2-en-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768538
8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769771
8-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 70504469
(1S,5R)-8-[2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 156456066

Frequently Asked Questions

What is the IUPAC name of 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 115621416) is 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2C1C=CCCC1.
What is the InChIKey of 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CQQCWEMEPYGNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13-8-11-6-7-12(9-13)14(11)10-4-2-1-3-5-10/h2,4,10-13,15H,1,3,5-9H2.
What are the key properties of 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 115621416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).