5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one

C9H14N2O2 — CID 66478607

IUPAC5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(C)C(c2n[nH]c(=O)o2)C1(C)C
InChIInChI=1S/C9H14N2O2/c1-8(2)5(9(8,3)4)6-10-11-7(12)13-6/h5H,1-4H3,(H,11,12)
InChIKeyABSGERKKUXVTQO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.51
Rot. Bonds1

About 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one

5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 66478607) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID66478607
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(C)C(c2n[nH]c(=O)o2)C1(C)C
InChIInChI=1S/C9H14N2O2/c1-8(2)5(9(8,3)4)6-10-11-7(12)13-6/h5H,1-4H3,(H,11,12)
InChIKeyABSGERKKUXVTQO-UHFFFAOYSA-N
XLogP1.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (CID 66478607) is 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is CC1(C)C(c2n[nH]c(=O)o2)C1(C)C.
What is the InChIKey of 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ABSGERKKUXVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-8(2)5(9(8,3)4)6-10-11-7(12)13-6/h5H,1-4H3,(H,11,12).
What are the key properties of 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 66478607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).