2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

C9H14ClN3O — CID 130608050

IUPAC2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1noc(C2=CCCC2)n1
InChIInChI=1S/C9H13N3O.ClH/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7;/h3H,1-2,4-6,10H2;1H
InChIKeyJHPBMIQJSGDJAT-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.56
Rot. Bonds3

About 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (PubChem CID 130608050) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
PubChem CID130608050
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1noc(C2=CCCC2)n1
InChIInChI=1S/C9H13N3O.ClH/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7;/h3H,1-2,4-6,10H2;1H
InChIKeyJHPBMIQJSGDJAT-UHFFFAOYSA-N
XLogP1.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (CID 130608050) is 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is Cl.NCCc1noc(C2=CCCC2)n1.
What is the InChIKey of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The InChIKey is JHPBMIQJSGDJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7;/h3H,1-2,4-6,10H2;1H.
What are the key properties of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 130608050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).