(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate

C13H17NO3 — CID 142016098

IUPAC(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate
SMILESCc1ncc2c(c1OC(=O)C(C)(C)C)COC2
InChIInChI=1S/C13H17NO3/c1-8-11(17-12(15)13(2,3)4)10-7-16-6-9(10)5-14-8/h5H,6-7H2,1-4H3
InChIKeyVQTMOXXJFMDPPN-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.37
Rot. Bonds1

About (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate

(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate (PubChem CID 142016098) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate
PubChem CID142016098
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate
SMILESCc1ncc2c(c1OC(=O)C(C)(C)C)COC2
InChIInChI=1S/C13H17NO3/c1-8-11(17-12(15)13(2,3)4)10-7-16-6-9(10)5-14-8/h5H,6-7H2,1-4H3
InChIKeyVQTMOXXJFMDPPN-UHFFFAOYSA-N
XLogP2.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridine-5-methanol
CID 70818
Pyridoxine tripalmitate
CID 20390
1,5-Dihydro-3-isopropyl-8-methyl-(1,3)dioxepino(5,6-c)pyridin-9-ylacetate
CID 11196358
2-(Acetoxymethyl)-4-methoxy-3,5-dimethylpyridine
CID 5067289
Pyridoxine Diacetate
CID 15838503
(5-Methoxy-6-methylpyridine-3,4-diyl)dimethanol
CID 14419841
(3,7,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) N,N-dimethylcarbamate bromide
CID 127043654
(7,8-dimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) N,N-dimethylcarbamate bromide
CID 127044293
(3,3,7,8-tetramethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) N,N-dimethylcarbamate bromide
CID 127044471
(3-ethyl-7,8-dimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) N,N-dimethylcarbamate bromide
CID 127044472
(7,8-dimethyl-3-propyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) N,N-dimethylcarbamate bromide
CID 127044473
(3-tert-butyl-7,8-dimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) N,N-dimethylcarbamate bromide
CID 127044474

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate?
The IUPAC name of (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate (CID 142016098) is (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate is Cc1ncc2c(c1OC(=O)C(C)(C)C)COC2.
What is the InChIKey of (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate?
The InChIKey is VQTMOXXJFMDPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-11(17-12(15)13(2,3)4)10-7-16-6-9(10)5-14-8/h5H,6-7H2,1-4H3.
What are the key properties of (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate?
(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate has a molecular weight of 235.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 142016098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).