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

C13H20N2O — CID 63976693

IUPACcyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CC=CCC1
InChIInChI=1S/C13H20N2O/c1-2-9-15-10-8-14-13(15)12(16)11-6-4-3-5-7-11/h3-4,8,10-12,16H,2,5-7,9H2,1H3
InChIKeyGFONMXURJDIUPB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.68
Rot. Bonds4

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

cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol (PubChem CID 63976693) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol
PubChem CID63976693
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namecyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CC=CCC1
InChIInChI=1S/C13H20N2O/c1-2-9-15-10-8-14-13(15)12(16)11-6-4-3-5-7-11/h3-4,8,10-12,16H,2,5-7,9H2,1H3
InChIKeyGFONMXURJDIUPB-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.68
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-propylimidazol-2-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol (CID 63976693) is cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol?
The InChIKey is GFONMXURJDIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-9-15-10-8-14-13(15)12(16)11-6-4-3-5-7-11/h3-4,8,10-12,16H,2,5-7,9H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol?
cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 2.68, 4 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-propylimidazol-2-yl)methanol is sourced from PubChem (CID 63976693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).