2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole

C7H11NO2 — CID 69011749

IUPAC2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole
SMILESCC1(C)OC2=CNCC2O1
InChIInChI=1S/C7H11NO2/c1-7(2)9-5-3-8-4-6(5)10-7/h3,6,8H,4H2,1-2H3
InChIKeyZQKNRZRBVXTNIU-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.58
Rot. Bonds

About 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole

2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole (PubChem CID 69011749) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole.

Molecular Properties

Compound Name2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole
PubChem CID69011749
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole
SMILESCC1(C)OC2=CNCC2O1
InChIInChI=1S/C7H11NO2/c1-7(2)9-5-3-8-4-6(5)10-7/h3,6,8H,4H2,1-2H3
InChIKeyZQKNRZRBVXTNIU-UHFFFAOYSA-N
XLogP0.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole?
The IUPAC name of 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole (CID 69011749) is 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole.
What is the SMILES notation for 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole?
The canonical SMILES for 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole is CC1(C)OC2=CNCC2O1.
What is the InChIKey of 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole?
The InChIKey is ZQKNRZRBVXTNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(2)9-5-3-8-4-6(5)10-7/h3,6,8H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole?
2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole has a molecular weight of 141.17 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole is sourced from PubChem (CID 69011749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).