cyclohex-3-en-1-yl(pyridin-3-yl)methanol

C12H15NO — CID 63899340

IUPACcyclohex-3-en-1-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)C1CC=CCC1
InChIInChI=1S/C12H15NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-2,4,7-10,12,14H,3,5-6H2
InChIKeySUBWUJYCBWITKH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.47
Rot. Bonds2

About cyclohex-3-en-1-yl(pyridin-3-yl)methanol

cyclohex-3-en-1-yl(pyridin-3-yl)methanol (PubChem CID 63899340) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(pyridin-3-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(pyridin-3-yl)methanol
PubChem CID63899340
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namecyclohex-3-en-1-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)C1CC=CCC1
InChIInChI=1S/C12H15NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-2,4,7-10,12,14H,3,5-6H2
InChIKeySUBWUJYCBWITKH-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohex-3-en-1-yl-(3-propylphenyl)methanol
CID 116542536
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130
pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
CID 65100027
(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol
CID 125488292
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-pyridin-3-ylmethanol
CID 146044176
(2-ethylcyclohexyl)-pyridin-3-ylmethanol
CID 63863632
(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol
CID 158186388
[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol
CID 168920390

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl(pyridin-3-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl(pyridin-3-yl)methanol (CID 63899340) is cyclohex-3-en-1-yl(pyridin-3-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl(pyridin-3-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl(pyridin-3-yl)methanol is OC(c1cccnc1)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl(pyridin-3-yl)methanol?
The InChIKey is SUBWUJYCBWITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-2,4,7-10,12,14H,3,5-6H2.
What are the key properties of cyclohex-3-en-1-yl(pyridin-3-yl)methanol?
cyclohex-3-en-1-yl(pyridin-3-yl)methanol has a molecular weight of 189.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(pyridin-3-yl)methanol is sourced from PubChem (CID 63899340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).