1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate

C12H15NO3 — CID 10822865

IUPAC1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate
SMILESCC(=O)OC(C)c1cc2c(cn1)OCC2C
InChIInChI=1S/C12H15NO3/c1-7-6-15-12-5-13-11(4-10(7)12)8(2)16-9(3)14/h4-5,7-8H,6H2,1-3H3
InChIKeyOQBLERKVYUOWSD-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.20
Rot. Bonds2

About 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate

1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate (PubChem CID 10822865) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate
PubChem CID10822865
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate
SMILESCC(=O)OC(C)c1cc2c(cn1)OCC2C
InChIInChI=1S/C12H15NO3/c1-7-6-15-12-5-13-11(4-10(7)12)8(2)16-9(3)14/h4-5,7-8H,6H2,1-3H3
InChIKeyOQBLERKVYUOWSD-UHFFFAOYSA-N
XLogP2.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate?
The IUPAC name of 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate (CID 10822865) is 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate.
What is the SMILES notation for 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate?
The canonical SMILES for 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate is CC(=O)OC(C)c1cc2c(cn1)OCC2C.
What is the InChIKey of 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate?
The InChIKey is OQBLERKVYUOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-6-15-12-5-13-11(4-10(7)12)8(2)16-9(3)14/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate?
1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate has a molecular weight of 221.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethyl acetate is sourced from PubChem (CID 10822865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).