5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane

C11H17NO2 — CID 177030081

IUPAC5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane
SMILESCCC.Cn1ccc2c(c1=O)CCO2
InChIInChI=1S/C8H9NO2.C3H8/c1-9-4-2-7-6(8(9)10)3-5-11-7;1-3-2/h2,4H,3,5H2,1H3;3H2,1-2H3
InChIKeyWBMJRYHLIAFBRR-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds

About 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane

5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane (PubChem CID 177030081) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane.

Molecular Properties

Compound Name5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane
PubChem CID177030081
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane
SMILESCCC.Cn1ccc2c(c1=O)CCO2
InChIInChI=1S/C8H9NO2.C3H8/c1-9-4-2-7-6(8(9)10)3-5-11-7;1-3-2/h2,4H,3,5H2,1H3;3H2,1-2H3
InChIKeyWBMJRYHLIAFBRR-UHFFFAOYSA-N
XLogP1.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane?
The IUPAC name of 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane (CID 177030081) is 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane.
What is the SMILES notation for 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane?
The canonical SMILES for 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane is CCC.Cn1ccc2c(c1=O)CCO2.
What is the InChIKey of 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane?
The InChIKey is WBMJRYHLIAFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C3H8/c1-9-4-2-7-6(8(9)10)3-5-11-7;1-3-2/h2,4H,3,5H2,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane?
5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane has a molecular weight of 195.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane is sourced from PubChem (CID 177030081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).