(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine

C7H14N4 — CID 134294179

IUPAC(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C
InChIInChI=1S/C7H14N4/c1-3-7-4-6(9-10-8)5-11(7)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyDSJODZLMPADAQT-RNFRBKRXSA-N
MW154.22 g/mol
LogP1.78
Rot. Bonds2

About (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine

(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine (PubChem CID 134294179) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine
PubChem CID134294179
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C
InChIInChI=1S/C7H14N4/c1-3-7-4-6(9-10-8)5-11(7)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyDSJODZLMPADAQT-RNFRBKRXSA-N
XLogP1.78
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine?
The IUPAC name of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine (CID 134294179) is (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine.
What is the SMILES notation for (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine?
The canonical SMILES for (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine is CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C.
What is the InChIKey of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine?
The InChIKey is DSJODZLMPADAQT-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-7-4-6(9-10-8)5-11(7)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine?
(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine has a molecular weight of 154.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 134294179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).