cyclobuten-1-yl 1H-imidazole-2-carboxylate

C8H8N2O2 — CID 91002569

IUPACcyclobuten-1-yl 1H-imidazole-2-carboxylate
SMILESO=C(OC1=CCC1)c1ncc[nH]1
InChIInChI=1S/C8H8N2O2/c11-8(7-9-4-5-10-7)12-6-2-1-3-6/h2,4-5H,1,3H2,(H,9,10)
InChIKeyCCWBVFYTFNOPKA-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.24
Rot. Bonds2

About cyclobuten-1-yl 1H-imidazole-2-carboxylate

cyclobuten-1-yl 1H-imidazole-2-carboxylate (PubChem CID 91002569) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is cyclobuten-1-yl 1H-imidazole-2-carboxylate.

Molecular Properties

Compound Namecyclobuten-1-yl 1H-imidazole-2-carboxylate
PubChem CID91002569
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Namecyclobuten-1-yl 1H-imidazole-2-carboxylate
SMILESO=C(OC1=CCC1)c1ncc[nH]1
InChIInChI=1S/C8H8N2O2/c11-8(7-9-4-5-10-7)12-6-2-1-3-6/h2,4-5H,1,3H2,(H,9,10)
InChIKeyCCWBVFYTFNOPKA-UHFFFAOYSA-N
XLogP1.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobuten-1-yl 1H-imidazole-2-carboxylate?
The IUPAC name of cyclobuten-1-yl 1H-imidazole-2-carboxylate (CID 91002569) is cyclobuten-1-yl 1H-imidazole-2-carboxylate.
What is the SMILES notation for cyclobuten-1-yl 1H-imidazole-2-carboxylate?
The canonical SMILES for cyclobuten-1-yl 1H-imidazole-2-carboxylate is O=C(OC1=CCC1)c1ncc[nH]1.
What is the InChIKey of cyclobuten-1-yl 1H-imidazole-2-carboxylate?
The InChIKey is CCWBVFYTFNOPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(7-9-4-5-10-7)12-6-2-1-3-6/h2,4-5H,1,3H2,(H,9,10).
What are the key properties of cyclobuten-1-yl 1H-imidazole-2-carboxylate?
cyclobuten-1-yl 1H-imidazole-2-carboxylate has a molecular weight of 164.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuten-1-yl 1H-imidazole-2-carboxylate is sourced from PubChem (CID 91002569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).