(2-propan-2-ylcyclobutyl) imidazole-1-carboxylate

C11H16N2O2 — CID 156560470

IUPAC(2-propan-2-ylcyclobutyl) imidazole-1-carboxylate
SMILESCC(C)C1CCC1OC(=O)n1ccnc1
InChIInChI=1S/C11H16N2O2/c1-8(2)9-3-4-10(9)15-11(14)13-6-5-12-7-13/h5-10H,3-4H2,1-2H3
InChIKeyQAODDEXOIYKXMM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.30
Rot. Bonds2

About (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate

(2-propan-2-ylcyclobutyl) imidazole-1-carboxylate (PubChem CID 156560470) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(2-propan-2-ylcyclobutyl) imidazole-1-carboxylate
PubChem CID156560470
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2-propan-2-ylcyclobutyl) imidazole-1-carboxylate
SMILESCC(C)C1CCC1OC(=O)n1ccnc1
InChIInChI=1S/C11H16N2O2/c1-8(2)9-3-4-10(9)15-11(14)13-6-5-12-7-13/h5-10H,3-4H2,1-2H3
InChIKeyQAODDEXOIYKXMM-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate?
The IUPAC name of (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate (CID 156560470) is (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate.
What is the SMILES notation for (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate?
The canonical SMILES for (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate is CC(C)C1CCC1OC(=O)n1ccnc1.
What is the InChIKey of (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate?
The InChIKey is QAODDEXOIYKXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)9-3-4-10(9)15-11(14)13-6-5-12-7-13/h5-10H,3-4H2,1-2H3.
What are the key properties of (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate?
(2-propan-2-ylcyclobutyl) imidazole-1-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylcyclobutyl) imidazole-1-carboxylate is sourced from PubChem (CID 156560470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).