2-azido-1-methylpyrrolidine

C5H10N4 — CID 150474972

IUPAC2-azido-1-methylpyrrolidine
SMILESCN1CCCC1N=[N+]=[N-]
InChIInChI=1S/C5H10N4/c1-9-4-2-3-5(9)7-8-6/h5H,2-4H2,1H3
InChIKeyHSPBWHNJJJDDIE-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.35
Rot. Bonds1

About 2-azido-1-methylpyrrolidine

2-azido-1-methylpyrrolidine (PubChem CID 150474972) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-azido-1-methylpyrrolidine.

Molecular Properties

Compound Name2-azido-1-methylpyrrolidine
PubChem CID150474972
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-azido-1-methylpyrrolidine
SMILESCN1CCCC1N=[N+]=[N-]
InChIInChI=1S/C5H10N4/c1-9-4-2-3-5(9)7-8-6/h5H,2-4H2,1H3
InChIKeyHSPBWHNJJJDDIE-UHFFFAOYSA-N
XLogP1.35
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-azido-1-methylpiperidin-3-ol
CID 149434787
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
1,2-dimethylpyrrolidine;methanol
CID 158560912
tert-butyl (2R)-2-azidoazetidine-1-carboxylate
CID 154710183
1,2-dimethyl-azacyclotetradecane
CID 70834681
(2R)-2-methanidyl-1-methylpyrrolidine;tungsten
CID 178106473
1,2-dimethyl-azacyclododecane
CID 70316000
3-ethynyl-1-methylpiperidine
CID 13266410
(4aR,8aR)-1-(3-azidopropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727800
(4aS,6R,8aS)-6-azido-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58075238
2-(azidomethyl)-1,3-dimethylpyrrolidine
CID 58841086
1-methylpiperidine-2,3-diol
CID 67912699

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-methylpyrrolidine?
The IUPAC name of 2-azido-1-methylpyrrolidine (CID 150474972) is 2-azido-1-methylpyrrolidine.
What is the SMILES notation for 2-azido-1-methylpyrrolidine?
The canonical SMILES for 2-azido-1-methylpyrrolidine is CN1CCCC1N=[N+]=[N-].
What is the InChIKey of 2-azido-1-methylpyrrolidine?
The InChIKey is HSPBWHNJJJDDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-9-4-2-3-5(9)7-8-6/h5H,2-4H2,1H3.
What are the key properties of 2-azido-1-methylpyrrolidine?
2-azido-1-methylpyrrolidine has a molecular weight of 126.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-methylpyrrolidine is sourced from PubChem (CID 150474972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).