4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium

C7H11N3O2 — CID 86135346

IUPAC4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium
SMILESCc1no[n+]([O-])c1N1CCCC1
InChIInChI=1S/C7H11N3O2/c1-6-7(10(11)12-8-6)9-4-2-3-5-9/h2-5H2,1H3
InChIKeyFWHNXIVEQPJEQH-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.22
Rot. Bonds1

About 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium

4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium (PubChem CID 86135346) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium.

Molecular Properties

Compound Name4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium
PubChem CID86135346
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium
SMILESCc1no[n+]([O-])c1N1CCCC1
InChIInChI=1S/C7H11N3O2/c1-6-7(10(11)12-8-6)9-4-2-3-5-9/h2-5H2,1H3
InChIKeyFWHNXIVEQPJEQH-UHFFFAOYSA-N
XLogP0.22
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-1-ium
CID 56695868
5,6-dimethyl-3-piperidin-1-yl-1,2,4-triazine
CID 130168376
3-methyl-4-(4-methylphenyl)-2-oxido-1,2,5-oxadiazol-2-ium
CID 122382997
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
1,6-diazabicyclo[4.4.1]undecan-11-one
CID 70385964
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116808104
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride
CID 160919102
2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanamine
CID 83879439
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
CID 163230037
2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde
CID 112712822

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium?
The IUPAC name of 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium (CID 86135346) is 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium.
What is the SMILES notation for 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium?
The canonical SMILES for 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium is Cc1no[n+]([O-])c1N1CCCC1.
What is the InChIKey of 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium?
The InChIKey is FWHNXIVEQPJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-6-7(10(11)12-8-6)9-4-2-3-5-9/h2-5H2,1H3.
What are the key properties of 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium?
4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium has a molecular weight of 169.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxido-3-pyrrolidin-1-yl-1,2,5-oxadiazol-2-ium is sourced from PubChem (CID 86135346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).