2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride

C7H13Cl2N3O — CID 71741576

IUPAC2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
SMILESCc1nnc(C2CCNC2)o1.Cl.Cl
InChIInChI=1S/C7H11N3O.2ClH/c1-5-9-10-7(11-5)6-2-3-8-4-6;;/h6,8H,2-4H2,1H3;2*1H
InChIKeyQCEBYINEXLGLAM-UHFFFAOYSA-N
MW226.11 g/mol
LogP1.30
Rot. Bonds1

About 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride

2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride (PubChem CID 71741576) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
PubChem CID71741576
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
SMILESCc1nnc(C2CCNC2)o1.Cl.Cl
InChIInChI=1S/C7H11N3O.2ClH/c1-5-9-10-7(11-5)6-2-3-8-4-6;;/h6,8H,2-4H2,1H3;2*1H
InChIKeyQCEBYINEXLGLAM-UHFFFAOYSA-N
XLogP1.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
The IUPAC name of 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride (CID 71741576) is 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
The canonical SMILES for 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride is Cc1nnc(C2CCNC2)o1.Cl.Cl.
What is the InChIKey of 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
The InChIKey is QCEBYINEXLGLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c1-5-9-10-7(11-5)6-2-3-8-4-6;;/h6,8H,2-4H2,1H3;2*1H.
What are the key properties of 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 71741576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).