2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one

C12H22N2O — CID 14489641

IUPAC2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one
SMILESCCN(CC)C(C)C1C=CCC(=O)N1C
InChIInChI=1S/C12H22N2O/c1-5-14(6-2)10(3)11-8-7-9-12(15)13(11)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyVBNLPKVYWPDZLO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.50
Rot. Bonds4

About 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one

2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one (PubChem CID 14489641) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one
PubChem CID14489641
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one
SMILESCCN(CC)C(C)C1C=CCC(=O)N1C
InChIInChI=1S/C12H22N2O/c1-5-14(6-2)10(3)11-8-7-9-12(15)13(11)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyVBNLPKVYWPDZLO-UHFFFAOYSA-N
XLogP1.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one?
The IUPAC name of 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one (CID 14489641) is 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one.
What is the SMILES notation for 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one?
The canonical SMILES for 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one is CCN(CC)C(C)C1C=CCC(=O)N1C.
What is the InChIKey of 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one?
The InChIKey is VBNLPKVYWPDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-14(6-2)10(3)11-8-7-9-12(15)13(11)4/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one?
2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one has a molecular weight of 210.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)ethyl]-1-methyl-2,5-dihydropyridin-6-one is sourced from PubChem (CID 14489641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).