3-(aminooxymethyl)pyrrolidine-3-carbonitrile

C6H11N3O — CID 176675152

IUPAC3-(aminooxymethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1(CON)CCNC1
InChIInChI=1S/C6H11N3O/c7-3-6(5-10-8)1-2-9-4-6/h9H,1-2,4-5,8H2
InChIKeyRAKPPGQDRMUGMH-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.62
Rot. Bonds2

About 3-(aminooxymethyl)pyrrolidine-3-carbonitrile

3-(aminooxymethyl)pyrrolidine-3-carbonitrile (PubChem CID 176675152) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(aminooxymethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-(aminooxymethyl)pyrrolidine-3-carbonitrile
PubChem CID176675152
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(aminooxymethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1(CON)CCNC1
InChIInChI=1S/C6H11N3O/c7-3-6(5-10-8)1-2-9-4-6/h9H,1-2,4-5,8H2
InChIKeyRAKPPGQDRMUGMH-UHFFFAOYSA-N
XLogP-0.62
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminooxymethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 3-(aminooxymethyl)pyrrolidine-3-carbonitrile (CID 176675152) is 3-(aminooxymethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-(aminooxymethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-(aminooxymethyl)pyrrolidine-3-carbonitrile is N#CC1(CON)CCNC1.
What is the InChIKey of 3-(aminooxymethyl)pyrrolidine-3-carbonitrile?
The InChIKey is RAKPPGQDRMUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-6(5-10-8)1-2-9-4-6/h9H,1-2,4-5,8H2.
What are the key properties of 3-(aminooxymethyl)pyrrolidine-3-carbonitrile?
3-(aminooxymethyl)pyrrolidine-3-carbonitrile has a molecular weight of 141.17 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminooxymethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 176675152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).