6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one

C24H23FN2O2 — CID 137477910

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(/C=C1\CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H23FN2O2/c1-14(2)19(13-17-10-11-26-23(17)28)18-8-9-22(27-24(18)29)16-7-6-15-4-3-5-21(25)20(15)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,28)(H,27,29)/b17-13+
InChIKeySYAXGJOJMZPSRW-GHRIWEEISA-N
MW390.46 g/mol
LogP4.52
Rot. Bonds4

About 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one (PubChem CID 137477910) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
PubChem CID137477910
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(/C=C1\CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H23FN2O2/c1-14(2)19(13-17-10-11-26-23(17)28)18-8-9-22(27-24(18)29)16-7-6-15-4-3-5-21(25)20(15)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,28)(H,27,29)/b17-13+
InChIKeySYAXGJOJMZPSRW-GHRIWEEISA-N
XLogP4.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one (CID 137477910) is 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one is CC(C)C(/C=C1\CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
The InChIKey is SYAXGJOJMZPSRW-GHRIWEEISA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-14(2)19(13-17-10-11-26-23(17)28)18-8-9-22(27-24(18)29)16-7-6-15-4-3-5-21(25)20(15)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,28)(H,27,29)/b17-13+.
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137477910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).