3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile

C7H13N3O — CID 176675140

IUPAC3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)(CON)C1
InChIInChI=1S/C7H13N3O/c1-10-3-2-7(4-8,5-10)6-11-9/h2-3,5-6,9H2,1H3
InChIKeyWOXGFAFQYVULST-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.28
Rot. Bonds2

About 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile

3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile (PubChem CID 176675140) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
PubChem CID176675140
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)(CON)C1
InChIInChI=1S/C7H13N3O/c1-10-3-2-7(4-8,5-10)6-11-9/h2-3,5-6,9H2,1H3
InChIKeyWOXGFAFQYVULST-UHFFFAOYSA-N
XLogP-0.28
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Methoxymethyl)pyrrolidine-3-carbonitrile
CID 165463809
3-(Hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468472
Potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate
CID 167468492
(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468907
3-(Methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675075
3-(Methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen
CID 176675117
3-(Aminooxymethyl)pyrrolidine-3-carbonitrile
CID 176675152
(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176690442
4-[3-(Methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251615

Frequently Asked Questions

What is the IUPAC name of 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile (CID 176675140) is 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile is CN1CCC(C#N)(CON)C1.
What is the InChIKey of 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The InChIKey is WOXGFAFQYVULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10-3-2-7(4-8,5-10)6-11-9/h2-3,5-6,9H2,1H3.
What are the key properties of 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile?
3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile has a molecular weight of 155.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 176675140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).