3-(azetidin-1-yl)pyrrolidine;hydrochloride

C7H15ClN2 — CID 53414698

IUPAC3-(azetidin-1-yl)pyrrolidine;hydrochloride
SMILESC1CN(C2CCNC2)C1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-4-9(5-1)7-2-3-8-6-7;/h7-8H,1-6H2;1H
InChIKeyBHBWIEXLSVIDDT-UHFFFAOYSA-N
MW162.66 g/mol
LogP0.48
Rot. Bonds1

About 3-(azetidin-1-yl)pyrrolidine;hydrochloride

3-(azetidin-1-yl)pyrrolidine;hydrochloride (PubChem CID 53414698) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 3-(azetidin-1-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(azetidin-1-yl)pyrrolidine;hydrochloride
PubChem CID53414698
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name3-(azetidin-1-yl)pyrrolidine;hydrochloride
SMILESC1CN(C2CCNC2)C1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-4-9(5-1)7-2-3-8-6-7;/h7-8H,1-6H2;1H
InChIKeyBHBWIEXLSVIDDT-UHFFFAOYSA-N
XLogP0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane
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CID 63160445
4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
CID 155895977
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
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N,N-dimethyl-1-pyrrolidin-3-ylpiperidin-4-amine
CID 62328090
1,2,3,4,5,6,7,9,10,11,12,12a-dodecahydropyrido[1,2-a][1,4,7]triazonine;trihydrobromide
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(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(azetidin-1-yl)pyrrolidine;hydrochloride (CID 53414698) is 3-(azetidin-1-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(azetidin-1-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(azetidin-1-yl)pyrrolidine;hydrochloride is C1CN(C2CCNC2)C1.Cl.
What is the InChIKey of 3-(azetidin-1-yl)pyrrolidine;hydrochloride?
The InChIKey is BHBWIEXLSVIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-4-9(5-1)7-2-3-8-6-7;/h7-8H,1-6H2;1H.
What are the key properties of 3-(azetidin-1-yl)pyrrolidine;hydrochloride?
3-(azetidin-1-yl)pyrrolidine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 53414698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).