3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one

C13H13NO2 — CID 12593744

IUPAC3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one
SMILESCC1(C)OCc2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C13H13NO2/c1-13(2)12-9(7-16-13)11(15)8-5-3-4-6-10(8)14-12/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySCHIOULLRDZZAY-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.29
Rot. Bonds

About 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one

3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one (PubChem CID 12593744) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one
PubChem CID12593744
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one
SMILESCC1(C)OCc2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C13H13NO2/c1-13(2)12-9(7-16-13)11(15)8-5-3-4-6-10(8)14-12/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySCHIOULLRDZZAY-UHFFFAOYSA-N
XLogP2.29
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one?
The IUPAC name of 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one (CID 12593744) is 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one.
What is the SMILES notation for 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one?
The canonical SMILES for 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one is CC1(C)OCc2c1[nH]c1ccccc1c2=O.
What is the InChIKey of 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one?
The InChIKey is SCHIOULLRDZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-13(2)12-9(7-16-13)11(15)8-5-3-4-6-10(8)14-12/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one?
3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one has a molecular weight of 215.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one is sourced from PubChem (CID 12593744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).