(2R,4R)-4-azido-2-ethylpyrrolidine

C6H12N4 — CID 134294180

IUPAC(2R,4R)-4-azido-2-ethylpyrrolidine
SMILESCC[C@@H]1C[C@@H](N=[N+]=[N-])CN1
InChIInChI=1S/C6H12N4/c1-2-5-3-6(4-8-5)9-10-7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyYVXFQBZLJNHTHS-PHDIDXHHSA-N
MW140.19 g/mol
LogP1.44
Rot. Bonds2

About (2R,4R)-4-azido-2-ethylpyrrolidine

(2R,4R)-4-azido-2-ethylpyrrolidine (PubChem CID 134294180) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (2R,4R)-4-azido-2-ethylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-4-azido-2-ethylpyrrolidine
PubChem CID134294180
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(2R,4R)-4-azido-2-ethylpyrrolidine
SMILESCC[C@@H]1C[C@@H](N=[N+]=[N-])CN1
InChIInChI=1S/C6H12N4/c1-2-5-3-6(4-8-5)9-10-7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyYVXFQBZLJNHTHS-PHDIDXHHSA-N
XLogP1.44
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
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

methyl 4-azidopyrrolidine-2-carboxylate
CID 14036246
3-azido-5-(methoxymethyl)piperidine
CID 146529272
2-ethyl-4-propan-2-ylpyrrolidine
CID 55288248
(2R)-4-tert-butyl-2-ethylpyrrolidine
CID 122428440
(2R,4R)-2-ethyl-4-(methoxymethyl)pyrrolidine
CID 178147098
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
4-azido-1,2-oxazolidine
CID 123816914
(2R,5S)-2-ethyl-5-methylpiperazine
CID 56973373
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845
3-amino-6-azidoazepane-2-carbaldehyde
CID 174493931
4-ethyl-6-methyl-1,3-diazinane
CID 146883415

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-azido-2-ethylpyrrolidine?
The IUPAC name of (2R,4R)-4-azido-2-ethylpyrrolidine (CID 134294180) is (2R,4R)-4-azido-2-ethylpyrrolidine.
What is the SMILES notation for (2R,4R)-4-azido-2-ethylpyrrolidine?
The canonical SMILES for (2R,4R)-4-azido-2-ethylpyrrolidine is CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1.
What is the InChIKey of (2R,4R)-4-azido-2-ethylpyrrolidine?
The InChIKey is YVXFQBZLJNHTHS-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-5-3-6(4-8-5)9-10-7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-4-azido-2-ethylpyrrolidine?
(2R,4R)-4-azido-2-ethylpyrrolidine has a molecular weight of 140.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-azido-2-ethylpyrrolidine is sourced from PubChem (CID 134294180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).