(3S)-3-(azidomethyl)pyrrolidine;hydrochloride

C5H11ClN4 — CID 162435665

IUPAC(3S)-3-(azidomethyl)pyrrolidine;hydrochloride
SMILESCl.[N-]=[N+]=NC[C@H]1CCNC1
InChIInChI=1S/C5H10N4.ClH/c6-9-8-4-5-1-2-7-3-5;/h5,7H,1-4H2;1H/t5-;/m0./s1
InChIKeyMKNREAPTKXEIHR-JEDNCBNOSA-N
MW162.62 g/mol
LogP1.33
Rot. Bonds2

About (3S)-3-(azidomethyl)pyrrolidine;hydrochloride

(3S)-3-(azidomethyl)pyrrolidine;hydrochloride (PubChem CID 162435665) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is (3S)-3-(azidomethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(azidomethyl)pyrrolidine;hydrochloride
PubChem CID162435665
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC Name(3S)-3-(azidomethyl)pyrrolidine;hydrochloride
SMILESCl.[N-]=[N+]=NC[C@H]1CCNC1
InChIInChI=1S/C5H10N4.ClH/c6-9-8-4-5-1-2-7-3-5;/h5,7H,1-4H2;1H/t5-;/m0./s1
InChIKeyMKNREAPTKXEIHR-JEDNCBNOSA-N
XLogP1.33
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.33
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

3-(isothiocyanatomethyl)pyrrolidine
CID 167718144
2-(azidomethyl)piperazine
CID 90243445
3-(4-azidobutyl)piperidine
CID 151564933
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine
CID 153394096
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
ethane;3-ethylpyrrolidine
CID 143803201
(4R)-4-(azidomethyl)pyrrolidin-2-one
CID 141038490
(3S)-3-pentylpyrrolidine
CID 10261191
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(azidomethyl)pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-(azidomethyl)pyrrolidine;hydrochloride (CID 162435665) is (3S)-3-(azidomethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-(azidomethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-(azidomethyl)pyrrolidine;hydrochloride is Cl.[N-]=[N+]=NC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(azidomethyl)pyrrolidine;hydrochloride?
The InChIKey is MKNREAPTKXEIHR-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c6-9-8-4-5-1-2-7-3-5;/h5,7H,1-4H2;1H/t5-;/m0./s1.
What are the key properties of (3S)-3-(azidomethyl)pyrrolidine;hydrochloride?
(3S)-3-(azidomethyl)pyrrolidine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(azidomethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 162435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).