3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one

C9H11NO2 — CID 177030361

IUPAC3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one
SMILESCC1COc2ccn(C)c(=O)c21
InChIInChI=1S/C9H11NO2/c1-6-5-12-7-3-4-10(2)9(11)8(6)7/h3-4,6H,5H2,1-2H3
InChIKeyUFHQKSBYGXFHCC-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.88
Rot. Bonds

About 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one

3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one (PubChem CID 177030361) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one
PubChem CID177030361
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one
SMILESCC1COc2ccn(C)c(=O)c21
InChIInChI=1S/C9H11NO2/c1-6-5-12-7-3-4-10(2)9(11)8(6)7/h3-4,6H,5H2,1-2H3
InChIKeyUFHQKSBYGXFHCC-UHFFFAOYSA-N
XLogP0.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one (CID 177030361) is 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one is CC1COc2ccn(C)c(=O)c21.
What is the InChIKey of 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one?
The InChIKey is UFHQKSBYGXFHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-5-12-7-3-4-10(2)9(11)8(6)7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one?
3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one has a molecular weight of 165.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 177030361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).