1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one

C16H18FNO3 — CID 19734618

IUPAC1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one
SMILESCC1(C)C(=O)c2ccc(F)cc2C(N2CCCC2=O)C1O
InChIInChI=1S/C16H18FNO3/c1-16(2)14(20)10-6-5-9(17)8-11(10)13(15(16)21)18-7-3-4-12(18)19/h5-6,8,13,15,21H,3-4,7H2,1-2H3
InChIKeyUOVKMIUWWFHVFV-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.07
Rot. Bonds1

About 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one

1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one (PubChem CID 19734618) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one
PubChem CID19734618
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one
SMILESCC1(C)C(=O)c2ccc(F)cc2C(N2CCCC2=O)C1O
InChIInChI=1S/C16H18FNO3/c1-16(2)14(20)10-6-5-9(17)8-11(10)13(15(16)21)18-7-3-4-12(18)19/h5-6,8,13,15,21H,3-4,7H2,1-2H3
InChIKeyUOVKMIUWWFHVFV-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one (CID 19734618) is 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one is CC1(C)C(=O)c2ccc(F)cc2C(N2CCCC2=O)C1O.
What is the InChIKey of 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one?
The InChIKey is UOVKMIUWWFHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-16(2)14(20)10-6-5-9(17)8-11(10)13(15(16)21)18-7-3-4-12(18)19/h5-6,8,13,15,21H,3-4,7H2,1-2H3.
What are the key properties of 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one?
1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one has a molecular weight of 291.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 19734618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).