3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole

C8H11NO2 — CID 66616090

IUPAC3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole
SMILESCC1COc2cn(C)cc2O1
InChIInChI=1S/C8H11NO2/c1-6-5-10-7-3-9(2)4-8(7)11-6/h3-4,6H,5H2,1-2H3
InChIKeyDJICCGPBYACXHA-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.18
Rot. Bonds

About 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole

3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole (PubChem CID 66616090) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole.

Molecular Properties

Compound Name3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole
PubChem CID66616090
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole
SMILESCC1COc2cn(C)cc2O1
InChIInChI=1S/C8H11NO2/c1-6-5-10-7-3-9(2)4-8(7)11-6/h3-4,6H,5H2,1-2H3
InChIKeyDJICCGPBYACXHA-UHFFFAOYSA-N
XLogP1.18
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole?
The IUPAC name of 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole (CID 66616090) is 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole.
What is the SMILES notation for 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole?
The canonical SMILES for 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole is CC1COc2cn(C)cc2O1.
What is the InChIKey of 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole?
The InChIKey is DJICCGPBYACXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-5-10-7-3-9(2)4-8(7)11-6/h3-4,6H,5H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole?
3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole has a molecular weight of 153.18 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole is sourced from PubChem (CID 66616090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).