1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one

C15H20N2O — CID 123378105

IUPAC1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one
SMILESCCn1c2c(cc(C)c1=O)/C(C)=N\C(C)=CCC2
InChIInChI=1S/C15H20N2O/c1-5-17-14-8-6-7-11(3)16-12(4)13(14)9-10(2)15(17)18/h7,9H,5-6,8H2,1-4H3/b11-7?,16-12-
InChIKeyFGZDIPFCDKMPBY-KIUXLTJGSA-N
MW244.34 g/mol
LogP2.84
Rot. Bonds1

About 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one

1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one (PubChem CID 123378105) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one.

Molecular Properties

Compound Name1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one
PubChem CID123378105
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one
SMILESCCn1c2c(cc(C)c1=O)/C(C)=N\C(C)=CCC2
InChIInChI=1S/C15H20N2O/c1-5-17-14-8-6-7-11(3)16-12(4)13(14)9-10(2)15(17)18/h7,9H,5-6,8H2,1-4H3/b11-7?,16-12-
InChIKeyFGZDIPFCDKMPBY-KIUXLTJGSA-N
XLogP2.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one?
The IUPAC name of 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one (CID 123378105) is 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one.
What is the SMILES notation for 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one?
The canonical SMILES for 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one is CCn1c2c(cc(C)c1=O)/C(C)=N\C(C)=CCC2.
What is the InChIKey of 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one?
The InChIKey is FGZDIPFCDKMPBY-KIUXLTJGSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-17-14-8-6-7-11(3)16-12(4)13(14)9-10(2)15(17)18/h7,9H,5-6,8H2,1-4H3/b11-7?,16-12-.
What are the key properties of 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one?
1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5,7-trimethyl-9,10-dihydropyrido[3,2-c]azocin-2-one is sourced from PubChem (CID 123378105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).