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

C11H14N2O2 — CID 70472965

IUPAC2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
SMILESCC1(C2Oc3ccccc3O2)NCCN1
InChIInChI=1S/C11H14N2O2/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
InChIKeyKPIPVNGXXBPLKG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.69
Rot. Bonds1

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

2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine (PubChem CID 70472965) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
PubChem CID70472965
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
SMILESCC1(C2Oc3ccccc3O2)NCCN1
InChIInChI=1S/C11H14N2O2/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
InChIKeyKPIPVNGXXBPLKG-UHFFFAOYSA-N
XLogP0.69
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.69
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?
The IUPAC name of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine (CID 70472965) is 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine.
What is the SMILES notation for 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine?
The canonical SMILES for 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine is CC1(C2Oc3ccccc3O2)NCCN1.
What is the InChIKey of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine?
The InChIKey is KPIPVNGXXBPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/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.
What are the key properties of 2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine?
2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine has a molecular weight of 206.25 g/mol, XLogP of 0.69, 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 is sourced from PubChem (CID 70472965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).