1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol

C11H18N2O — CID 130554985

IUPAC1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCCn1ccnc1C1(O)CCC1(C)C
InChIInChI=1S/C11H18N2O/c1-4-13-8-7-12-9(13)11(14)6-5-10(11,2)3/h7-8,14H,4-6H2,1-3H3
InChIKeyDKGWQGFPVYXWCK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.91
Rot. Bonds2

About 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol

1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 130554985) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol
PubChem CID130554985
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCCn1ccnc1C1(O)CCC1(C)C
InChIInChI=1S/C11H18N2O/c1-4-13-8-7-12-9(13)11(14)6-5-10(11,2)3/h7-8,14H,4-6H2,1-3H3
InChIKeyDKGWQGFPVYXWCK-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol (CID 130554985) is 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol is CCn1ccnc1C1(O)CCC1(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is DKGWQGFPVYXWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-13-8-7-12-9(13)11(14)6-5-10(11,2)3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol?
1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 130554985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).