cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol

C13H17NO — CID 106657893

IUPACcyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)C2=CCCCC2)c1
InChIInChI=1S/C13H17NO/c1-10-7-12(9-14-8-10)13(15)11-5-3-2-4-6-11/h5,7-9,13,15H,2-4,6H2,1H3
InChIKeyJSKOQXMHRRLFOE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.92
Rot. Bonds2

About cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol

cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol (PubChem CID 106657893) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
PubChem CID106657893
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Namecyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)C2=CCCCC2)c1
InChIInChI=1S/C13H17NO/c1-10-7-12(9-14-8-10)13(15)11-5-3-2-4-6-11/h5,7-9,13,15H,2-4,6H2,1H3
InChIKeyJSKOQXMHRRLFOE-UHFFFAOYSA-N
XLogP2.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.92
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

[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
CID 106657819
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol
CID 62078570
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634
cyclohexen-1-yl(1,3-thiazol-5-yl)methanol
CID 106651555
cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 106651068
cyclohepten-1-yl(1,3-thiazol-5-yl)methanol
CID 106651556

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol (CID 106657893) is cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)C2=CCCCC2)c1.
What is the InChIKey of cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol?
The InChIKey is JSKOQXMHRRLFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-7-12(9-14-8-10)13(15)11-5-3-2-4-6-11/h5,7-9,13,15H,2-4,6H2,1H3.
What are the key properties of cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol?
cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol has a molecular weight of 203.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 106657893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).