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

C11H13NO3 — CID 22047300

IUPAC(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate
SMILESCC(=O)OCc1cc2c(cn1)OCC2C
InChIInChI=1S/C11H13NO3/c1-7-5-15-11-4-12-9(3-10(7)11)6-14-8(2)13/h3-4,7H,5-6H2,1-2H3
InChIKeyPKUGOEKKIILFPA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.64
Rot. Bonds2

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

(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate (PubChem CID 22047300) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate.

Molecular Properties

Compound Name(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate
PubChem CID22047300
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate
SMILESCC(=O)OCc1cc2c(cn1)OCC2C
InChIInChI=1S/C11H13NO3/c1-7-5-15-11-4-12-9(3-10(7)11)6-14-8(2)13/h3-4,7H,5-6H2,1-2H3
InChIKeyPKUGOEKKIILFPA-UHFFFAOYSA-N
XLogP1.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate?
The IUPAC name of (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate (CID 22047300) is (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate.
What is the SMILES notation for (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate?
The canonical SMILES for (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate is CC(=O)OCc1cc2c(cn1)OCC2C.
What is the InChIKey of (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate?
The InChIKey is PKUGOEKKIILFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-5-15-11-4-12-9(3-10(7)11)6-14-8(2)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate?
(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate has a molecular weight of 207.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate is sourced from PubChem (CID 22047300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).