4-azido-1-methylpyrrolidine-3-carbonitrile

C6H9N5 — CID 90196669

IUPAC4-azido-1-methylpyrrolidine-3-carbonitrile
SMILESCN1CC(C#N)C(N=[N+]=[N-])C1
InChIInChI=1S/C6H9N5/c1-11-3-5(2-7)6(4-11)9-10-8/h5-6H,3-4H2,1H3
InChIKeyWNHDECGEUZRPHL-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.75
Rot. Bonds1

About 4-azido-1-methylpyrrolidine-3-carbonitrile

4-azido-1-methylpyrrolidine-3-carbonitrile (PubChem CID 90196669) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-azido-1-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name4-azido-1-methylpyrrolidine-3-carbonitrile
PubChem CID90196669
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name4-azido-1-methylpyrrolidine-3-carbonitrile
SMILESCN1CC(C#N)C(N=[N+]=[N-])C1
InChIInChI=1S/C6H9N5/c1-11-3-5(2-7)6(4-11)9-10-8/h5-6H,3-4H2,1H3
InChIKeyWNHDECGEUZRPHL-UHFFFAOYSA-N
XLogP0.75
TPSA75.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine
CID 58029665
(3R,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine
CID 58029747
(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine
CID 58029797
3-Azido-4-methyl-1-propan-2-ylpyrrolidine
CID 58029840
4-Azido-1-propan-2-ylpyrrolidine-3-carbonitrile
CID 90195350
(2S,4S)-4-azido-1-propan-2-ylpyrrolidine-2-carbonitrile
CID 117724076
(2S,4S)-4-azido-1-methylpyrrolidine-2-carbonitrile
CID 117725173
(2S,4R)-4-azido-1-propan-2-ylpyrrolidine-2-carbonitrile
CID 121353393
(2S,4R)-4-azido-1-methylpyrrolidine-2-carbonitrile
CID 121353798
3-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]butanenitrile
CID 80395030
3-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile
CID 81463856
2-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile
CID 81464132

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 4-azido-1-methylpyrrolidine-3-carbonitrile (CID 90196669) is 4-azido-1-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 4-azido-1-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 4-azido-1-methylpyrrolidine-3-carbonitrile is CN1CC(C#N)C(N=[N+]=[N-])C1.
What is the InChIKey of 4-azido-1-methylpyrrolidine-3-carbonitrile?
The InChIKey is WNHDECGEUZRPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-11-3-5(2-7)6(4-11)9-10-8/h5-6H,3-4H2,1H3.
What are the key properties of 4-azido-1-methylpyrrolidine-3-carbonitrile?
4-azido-1-methylpyrrolidine-3-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 90196669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).