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

C7H10N2O2 — CID 107003432

IUPAC5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(C)CC1c1n[nH]c(=O)o1
InChIInChI=1S/C7H10N2O2/c1-7(2)3-4(7)5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,9,10)
InChIKeyZMEDGZYGSKQPDK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.88
Rot. Bonds1

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

5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 107003432) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID107003432
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(C)CC1c1n[nH]c(=O)o1
InChIInChI=1S/C7H10N2O2/c1-7(2)3-4(7)5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,9,10)
InChIKeyZMEDGZYGSKQPDK-UHFFFAOYSA-N
XLogP0.88
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylbutyl)-3H-1,3,4-oxadiazol-2-one
CID 64194932
5-(1-Methylcyclopropyl)-1,3,4-oxadiazol-2(3H)-one
CID 12787077
5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one
CID 58260871
5-(3-methylbutan-2-yl)-3H-1,3,4-oxadiazol-2-one
CID 64193426
5-pentan-2-yl-3H-1,3,4-oxadiazol-2-one
CID 64194378
5-(cyclopropylmethyl)-3H-1,3,4-oxadiazol-2-one
CID 64194942
5-(4,4-dimethylpentan-2-yl)-3H-1,3,4-oxadiazol-2-one
CID 89273664
5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one
CID 171541210
5-(2-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
CID 64194742
5-(2,3,3-trimethylbutyl)-3H-1,3,4-oxadiazol-2-one
CID 64194753
5-(2,2,3,3-tetramethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
CID 66478607
5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one
CID 83150168

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (CID 107003432) is 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is CC1(C)CC1c1n[nH]c(=O)o1.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ZMEDGZYGSKQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(2)3-4(7)5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 107003432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).