5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one

C9H14N2O — CID 123789983

IUPAC5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one
SMILESCC=NC1=C(CC)CCC(=O)N1
InChIInChI=1S/C9H14N2O/c1-3-7-5-6-8(12)11-9(7)10-4-2/h4H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyOJSDTIPPOOEOEG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.61
Rot. Bonds2

About 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one

5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one (PubChem CID 123789983) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one
PubChem CID123789983
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one
SMILESCC=NC1=C(CC)CCC(=O)N1
InChIInChI=1S/C9H14N2O/c1-3-7-5-6-8(12)11-9(7)10-4-2/h4H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyOJSDTIPPOOEOEG-UHFFFAOYSA-N
XLogP1.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one (CID 123789983) is 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one is CC=NC1=C(CC)CCC(=O)N1.
What is the InChIKey of 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is OJSDTIPPOOEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-5-6-8(12)11-9(7)10-4-2/h4H,3,5-6H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one?
5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 123789983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).