(3S)-3-[(1R)-1-azidoethyl]pyrrolidine

C6H12N4 — CID 150048976

IUPAC(3S)-3-[(1R)-1-azidoethyl]pyrrolidine
SMILESC[C@@H](N=[N+]=[N-])[C@H]1CCNC1
InChIInChI=1S/C6H12N4/c1-5(9-10-7)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyDKWYPXPWNLFRJS-RITPCOANSA-N
MW140.19 g/mol
LogP1.29
Rot. Bonds2

About (3S)-3-[(1R)-1-azidoethyl]pyrrolidine

(3S)-3-[(1R)-1-azidoethyl]pyrrolidine (PubChem CID 150048976) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-azidoethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-azidoethyl]pyrrolidine
PubChem CID150048976
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(3S)-3-[(1R)-1-azidoethyl]pyrrolidine
SMILESC[C@@H](N=[N+]=[N-])[C@H]1CCNC1
InChIInChI=1S/C6H12N4/c1-5(9-10-7)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyDKWYPXPWNLFRJS-RITPCOANSA-N
XLogP1.29
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 ≤ 51.29
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

(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
(3S)-3-(1-cyclobutylethyl)pyrrolidine
CID 58803048
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane
CID 143400696
1-pyrrolidin-3-ylethanamine;triethoxysilane
CID 173046931
4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
3-methyl-1-pyrrolidin-3-ylbutan-1-amine
CID 82416019
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-azidoethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1R)-1-azidoethyl]pyrrolidine (CID 150048976) is (3S)-3-[(1R)-1-azidoethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1R)-1-azidoethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1R)-1-azidoethyl]pyrrolidine is C[C@@H](N=[N+]=[N-])[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(1R)-1-azidoethyl]pyrrolidine?
The InChIKey is DKWYPXPWNLFRJS-RITPCOANSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(9-10-7)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-azidoethyl]pyrrolidine?
(3S)-3-[(1R)-1-azidoethyl]pyrrolidine has a molecular weight of 140.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-azidoethyl]pyrrolidine is sourced from PubChem (CID 150048976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).