cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol

C11H16N2O — CID 63975154

IUPACcyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CC=CCC1
InChIInChI=1S/C11H16N2O/c1-13-8-7-12-11(13)10(14)9-5-3-2-4-6-9/h2-3,7-10,14H,4-6H2,1H3
InChIKeyOWUQOXXWEQNEMC-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds2

About cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol

cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol (PubChem CID 63975154) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol
PubChem CID63975154
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namecyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CC=CCC1
InChIInChI=1S/C11H16N2O/c1-13-8-7-12-11(13)10(14)9-5-3-2-4-6-9/h2-3,7-10,14H,4-6H2,1H3
InChIKeyOWUQOXXWEQNEMC-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol (CID 63975154) is cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol?
The InChIKey is OWUQOXXWEQNEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-8-7-12-11(13)10(14)9-5-3-2-4-6-9/h2-3,7-10,14H,4-6H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol?
cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 63975154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).