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

C11H13NO2 — CID 167261699

IUPAC(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC[C@]1(C)OC(=O)c2ccc(C)nc21
InChIInChI=1S/C11H13NO2/c1-4-11(3)9-8(10(13)14-11)6-5-7(2)12-9/h5-6H,4H2,1-3H3/t11-/m0/s1
InChIKeyNABAZBDBSRWMGC-NSHDSACASA-N
MW191.23 g/mol
LogP2.19
Rot. Bonds1

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

(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one (PubChem CID 167261699) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one
PubChem CID167261699
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC[C@]1(C)OC(=O)c2ccc(C)nc21
InChIInChI=1S/C11H13NO2/c1-4-11(3)9-8(10(13)14-11)6-5-7(2)12-9/h5-6H,4H2,1-3H3/t11-/m0/s1
InChIKeyNABAZBDBSRWMGC-NSHDSACASA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one (CID 167261699) is (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one is CC[C@]1(C)OC(=O)c2ccc(C)nc21.
What is the InChIKey of (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one?
The InChIKey is NABAZBDBSRWMGC-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-11(3)9-8(10(13)14-11)6-5-7(2)12-9/h5-6H,4H2,1-3H3/t11-/m0/s1.
What are the key properties of (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one?
(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 167261699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).