4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine

C13H19NO — CID 177282838

IUPAC4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
SMILESCC(C)c1cc2c(c(C(C)C)n1)COC2
InChIInChI=1S/C13H19NO/c1-8(2)12-5-10-6-15-7-11(10)13(14-12)9(3)4/h5,8-9H,6-7H2,1-4H3
InChIKeyHIUXPGZKOIJOME-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.36
Rot. Bonds2

About 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine

4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine (PubChem CID 177282838) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
PubChem CID177282838
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
SMILESCC(C)c1cc2c(c(C(C)C)n1)COC2
InChIInChI=1S/C13H19NO/c1-8(2)12-5-10-6-15-7-11(10)13(14-12)9(3)4/h5,8-9H,6-7H2,1-4H3
InChIKeyHIUXPGZKOIJOME-UHFFFAOYSA-N
XLogP3.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
The IUPAC name of 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine (CID 177282838) is 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine.
What is the SMILES notation for 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
The canonical SMILES for 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine is CC(C)c1cc2c(c(C(C)C)n1)COC2.
What is the InChIKey of 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
The InChIKey is HIUXPGZKOIJOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8(2)12-5-10-6-15-7-11(10)13(14-12)9(3)4/h5,8-9H,6-7H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine has a molecular weight of 205.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine is sourced from PubChem (CID 177282838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).