5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

C13H19NO2 — CID 167420618

IUPAC5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESCC(C)c1cc2c(c(C(C)C)n1)OCCO2
InChIInChI=1S/C13H19NO2/c1-8(2)10-7-11-13(16-6-5-15-11)12(14-10)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyYEGXGXPFYMYSND-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.10
Rot. Bonds2

About 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 167420618) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID167420618
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESCC(C)c1cc2c(c(C(C)C)n1)OCCO2
InChIInChI=1S/C13H19NO2/c1-8(2)10-7-11-13(16-6-5-15-11)12(14-10)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyYEGXGXPFYMYSND-UHFFFAOYSA-N
XLogP3.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (CID 167420618) is 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is CC(C)c1cc2c(c(C(C)C)n1)OCCO2.
What is the InChIKey of 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is YEGXGXPFYMYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)10-7-11-13(16-6-5-15-11)12(14-10)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 167420618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).