1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one

C8H11N3O2 — CID 3079603

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(CN2CCCC2=O)no1
InChIInChI=1S/C8H11N3O2/c1-6-9-7(10-13-6)5-11-4-2-3-8(11)12/h2-5H2,1H3
InChIKeySXMNSULDGQOWCI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.50
Rot. Bonds2

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one (PubChem CID 3079603) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
PubChem CID3079603
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(CN2CCCC2=O)no1
InChIInChI=1S/C8H11N3O2/c1-6-9-7(10-13-6)5-11-4-2-3-8(11)12/h2-5H2,1H3
InChIKeySXMNSULDGQOWCI-UHFFFAOYSA-N
XLogP0.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one (CID 3079603) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one is Cc1nc(CN2CCCC2=O)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is SXMNSULDGQOWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-9-7(10-13-6)5-11-4-2-3-8(11)12/h2-5H2,1H3.
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 181.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3079603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).