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

C9H14N4O2 — CID 82508028

IUPAC4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1noc(CN2CC(CN)CC2=O)n1
InChIInChI=1S/C9H14N4O2/c1-6-11-8(15-12-6)5-13-4-7(3-10)2-9(13)14/h7H,2-5,10H2,1H3
InChIKeyFFMMIBLAPDANTD-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.31
Rot. Bonds3

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

4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 82508028) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID82508028
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1noc(CN2CC(CN)CC2=O)n1
InChIInChI=1S/C9H14N4O2/c1-6-11-8(15-12-6)5-13-4-7(3-10)2-9(13)14/h7H,2-5,10H2,1H3
InChIKeyFFMMIBLAPDANTD-UHFFFAOYSA-N
XLogP-0.31
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one (CID 82508028) is 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one is Cc1noc(CN2CC(CN)CC2=O)n1.
What is the InChIKey of 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is FFMMIBLAPDANTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-11-8(15-12-6)5-13-4-7(3-10)2-9(13)14/h7H,2-5,10H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 82508028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).