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

C6H8N2O2 — CID 12787077

IUPAC5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C6H8N2O2/c1-6(2-3-6)4-7-8-5(9)10-4/h2-3H2,1H3,(H,8,9)
InChIKeyKLJILTOWHMVZNY-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.41
Rot. Bonds1

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

5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 12787077) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID12787077
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C6H8N2O2/c1-6(2-3-6)4-7-8-5(9)10-4/h2-3H2,1H3,(H,8,9)
InChIKeyKLJILTOWHMVZNY-UHFFFAOYSA-N
XLogP0.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (CID 12787077) is 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is CC1(c2n[nH]c(=O)o2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is KLJILTOWHMVZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-6(2-3-6)4-7-8-5(9)10-4/h2-3H2,1H3,(H,8,9).
What are the key properties of 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 12787077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).