1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one

C21H23FN2O3 — CID 170370781

IUPAC1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3c(C)ccn(C4CCC4)c3=O)C2)c(F)c1
InChIInChI=1S/C21H23FN2O3/c1-13-8-9-23(15-4-3-5-15)21(26)20(13)24-12-14(10-19(24)25)17-7-6-16(27-2)11-18(17)22/h6-9,11,14-15H,3-5,10,12H2,1-2H3/t14-/m0/s1
InChIKeySMCGULAOHGRRKP-AWEZNQCLSA-N
MW370.42 g/mol
LogP3.55
Rot. Bonds4

About 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one

1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one (PubChem CID 170370781) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
PubChem CID170370781
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3c(C)ccn(C4CCC4)c3=O)C2)c(F)c1
InChIInChI=1S/C21H23FN2O3/c1-13-8-9-23(15-4-3-5-15)21(26)20(13)24-12-14(10-19(24)25)17-7-6-16(27-2)11-18(17)22/h6-9,11,14-15H,3-5,10,12H2,1-2H3/t14-/m0/s1
InChIKeySMCGULAOHGRRKP-AWEZNQCLSA-N
XLogP3.55
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
The IUPAC name of 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one (CID 170370781) is 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
The canonical SMILES for 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one is COc1ccc([C@H]2CC(=O)N(c3c(C)ccn(C4CCC4)c3=O)C2)c(F)c1.
What is the InChIKey of 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
The InChIKey is SMCGULAOHGRRKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13-8-9-23(15-4-3-5-15)21(26)20(13)24-12-14(10-19(24)25)17-7-6-16(27-2)11-18(17)22/h6-9,11,14-15H,3-5,10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one is sourced from PubChem (CID 170370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).