4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one

C9H11NO2 — CID 13433096

IUPAC4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one
SMILESCc1cc(=O)n(C)c2c1CCO2
InChIInChI=1S/C9H11NO2/c1-6-5-8(11)10(2)9-7(6)3-4-12-9/h5H,3-4H2,1-2H3
InChIKeyNSXYWWPZSMRFLZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.63
Rot. Bonds

About 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one

4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one (PubChem CID 13433096) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one
PubChem CID13433096
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one
SMILESCc1cc(=O)n(C)c2c1CCO2
InChIInChI=1S/C9H11NO2/c1-6-5-8(11)10(2)9-7(6)3-4-12-9/h5H,3-4H2,1-2H3
InChIKeyNSXYWWPZSMRFLZ-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one?
The IUPAC name of 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one (CID 13433096) is 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one.
What is the SMILES notation for 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one?
The canonical SMILES for 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one is Cc1cc(=O)n(C)c2c1CCO2.
What is the InChIKey of 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one?
The InChIKey is NSXYWWPZSMRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-5-8(11)10(2)9-7(6)3-4-12-9/h5H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one?
4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one has a molecular weight of 165.19 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3-dihydrofuro[2,3-b]pyridin-6-one is sourced from PubChem (CID 13433096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).