(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one

C10H11NO2 — CID 165381210

IUPAC(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
SMILES[2H]c1ccc2c(n1)[C@](C)(CC)OC2=O
InChIInChI=1S/C10H11NO2/c1-3-10(2)8-7(9(12)13-10)5-4-6-11-8/h4-6H,3H2,1-2H3/t10-/m0/s1/i6D
InChIKeyXQXOSRJALLTOJU-GLZMELHZSA-N
MW178.21 g/mol
LogP1.88
Rot. Bonds1

About (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one

(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one (PubChem CID 165381210) has the molecular formula C10H11NO2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
PubChem CID165381210
Molecular FormulaC10H11NO2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
SMILES[2H]c1ccc2c(n1)[C@](C)(CC)OC2=O
InChIInChI=1S/C10H11NO2/c1-3-10(2)8-7(9(12)13-10)5-4-6-11-8/h4-6H,3H2,1-2H3/t10-/m0/s1/i6D
InChIKeyXQXOSRJALLTOJU-GLZMELHZSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one
CID 167261699
(7S)-2-chloro-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one;(7R)-2-chloro-7-ethyl-7-methyl-5-methylidenefuro[3,4-b]pyridine;methane
CID 167641234
4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531
(3S)-3-ethyl-3,4,6-trimethyl-2-benzofuran-1-one
CID 92982290
3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911
1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one
CID 102203014
6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 21300282
2,2-dipropyl-1,3-benzodioxin-4-one
CID 176766083
2-ethyl-2-propyl-3,1-benzoxathiin-4-one
CID 176765986
7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139843545
7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 175781475
3-amino-3-propyl-2-benzofuran-1-one
CID 70621686

Frequently Asked Questions

What is the IUPAC name of (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one (CID 165381210) is (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one is [2H]c1ccc2c(n1)[C@](C)(CC)OC2=O.
What is the InChIKey of (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The InChIKey is XQXOSRJALLTOJU-GLZMELHZSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-10(2)8-7(9(12)13-10)5-4-6-11-8/h4-6H,3H2,1-2H3/t10-/m0/s1/i6D.
What are the key properties of (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one has a molecular weight of 178.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 165381210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).