1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one

C19H18BrNO2 — CID 14957795

IUPAC1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCCC1(CC)C=C(n2ccccc2=O)c2cc(Br)ccc2C1=O
InChIInChI=1S/C19H18BrNO2/c1-3-19(4-2)12-16(21-10-6-5-7-17(21)22)15-11-13(20)8-9-14(15)18(19)23/h5-12H,3-4H2,1-2H3
InChIKeyOBSOJJYKGLDGJQ-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.50
Rot. Bonds3

About 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one

1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957795) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957795
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCCC1(CC)C=C(n2ccccc2=O)c2cc(Br)ccc2C1=O
InChIInChI=1S/C19H18BrNO2/c1-3-19(4-2)12-16(21-10-6-5-7-17(21)22)15-11-13(20)8-9-14(15)18(19)23/h5-12H,3-4H2,1-2H3
InChIKeyOBSOJJYKGLDGJQ-UHFFFAOYSA-N
XLogP4.50
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957795) is 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one is CCC1(CC)C=C(n2ccccc2=O)c2cc(Br)ccc2C1=O.
What is the InChIKey of 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is OBSOJJYKGLDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-3-19(4-2)12-16(21-10-6-5-7-17(21)22)15-11-13(20)8-9-14(15)18(19)23/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 372.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,3-diethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).