2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride

C11H15ClN2O2 — CID 70571376

IUPAC2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride
SMILESCC1(C2Oc3ccccc3O2)NCCN1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-11(12-6-7-13-11)10-14-8-4-2-3-5-9(8)15-10;/h2-5,10,12-13H,6-7H2,1H3;1H
InChIKeyXDICOXKXOOWLGF-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.11
Rot. Bonds1

About 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride

2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride (PubChem CID 70571376) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride
PubChem CID70571376
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride
SMILESCC1(C2Oc3ccccc3O2)NCCN1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-11(12-6-7-13-11)10-14-8-4-2-3-5-9(8)15-10;/h2-5,10,12-13H,6-7H2,1H3;1H
InChIKeyXDICOXKXOOWLGF-UHFFFAOYSA-N
XLogP1.11
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride?
The IUPAC name of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride (CID 70571376) is 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride.
What is the SMILES notation for 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride?
The canonical SMILES for 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride is CC1(C2Oc3ccccc3O2)NCCN1.Cl.
What is the InChIKey of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride?
The InChIKey is XDICOXKXOOWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-11(12-6-7-13-11)10-14-8-4-2-3-5-9(8)15-10;/h2-5,10,12-13H,6-7H2,1H3;1H.
What are the key properties of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride?
2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride is sourced from PubChem (CID 70571376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).