1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one

C17H24N2O2 — CID 138380631

IUPAC1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CC3CC3(CC)C2)c1=O
InChIInChI=1S/C17H24N2O2/c1-5-17-8-13(17)9-18(10-17)15(20)14-11(3)7-12(4)19(6-2)16(14)21/h7,13H,5-6,8-10H2,1-4H3
InChIKeyVYCVUMQXOPQEOA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.36
Rot. Bonds3

About 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one

1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one (PubChem CID 138380631) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one
PubChem CID138380631
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CC3CC3(CC)C2)c1=O
InChIInChI=1S/C17H24N2O2/c1-5-17-8-13(17)9-18(10-17)15(20)14-11(3)7-12(4)19(6-2)16(14)21/h7,13H,5-6,8-10H2,1-4H3
InChIKeyVYCVUMQXOPQEOA-UHFFFAOYSA-N
XLogP2.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one (CID 138380631) is 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2CC3CC3(CC)C2)c1=O.
What is the InChIKey of 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one?
The InChIKey is VYCVUMQXOPQEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-17-8-13(17)9-18(10-17)15(20)14-11(3)7-12(4)19(6-2)16(14)21/h7,13H,5-6,8-10H2,1-4H3.
What are the key properties of 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one?
1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 138380631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).