1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

C17H14FNO2 — CID 14957722

IUPAC1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2C1=O
InChIInChI=1S/C17H14FNO2/c1-17(2)10-14(19-8-4-3-5-15(19)20)13-9-11(18)6-7-12(13)16(17)21/h3-10H,1-2H3
InChIKeyAPRVXINHBMWDBC-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.10
Rot. Bonds1

About 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957722) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957722
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2C1=O
InChIInChI=1S/C17H14FNO2/c1-17(2)10-14(19-8-4-3-5-15(19)20)13-9-11(18)6-7-12(13)16(17)21/h3-10H,1-2H3
InChIKeyAPRVXINHBMWDBC-UHFFFAOYSA-N
XLogP3.10
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

UR 8225
CID 198778
4-(1-Piperidinyl)-1,2-naphthalenedione
CID 3393623
1-(7-Bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 9950014
1-[[3,4-Dihydro-4-oxo-3,3-dimethyl-7-(trifluoromethyl)naphthalen]-1-yl]pyridin-2(1H)-one
CID 14957725
1-[3,3-Dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one
CID 14957730
1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-6-ethynylnaphthalen-1-one
CID 14957731
16-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione
CID 25221889
2-methyl-4-phenyl-1(2H)-isoquinolinone
CID 3499770
4-(Diethylamino)naphthalene-1,2-dione
CID 15569221
1-(7-Acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957734
6,6-Dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)naphthalene-2-carbonitrile
CID 14957744
2-acetyl-N-[1-(2-fluorobenzyl)piperidin-3-yl]-N-methylbenzamide
CID 23723332

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957722) is 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2C1=O.
What is the InChIKey of 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is APRVXINHBMWDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-17(2)10-14(19-8-4-3-5-15(19)20)13-9-11(18)6-7-12(13)16(17)21/h3-10H,1-2H3.
What are the key properties of 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).