5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one

C15H20FNO — CID 104687906

IUPAC5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(F)ccc1CC1(C(C)C)CCC(=O)N1
InChIInChI=1S/C15H20FNO/c1-10(2)15(7-6-14(18)17-15)9-12-4-5-13(16)8-11(12)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyRLUVDPMDIZARNF-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.98
Rot. Bonds3

About 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one

5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 104687906) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID104687906
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(F)ccc1CC1(C(C)C)CCC(=O)N1
InChIInChI=1S/C15H20FNO/c1-10(2)15(7-6-14(18)17-15)9-12-4-5-13(16)8-11(12)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyRLUVDPMDIZARNF-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one (CID 104687906) is 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one is Cc1cc(F)ccc1CC1(C(C)C)CCC(=O)N1.
What is the InChIKey of 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is RLUVDPMDIZARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10(2)15(7-6-14(18)17-15)9-12-4-5-13(16)8-11(12)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 249.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104687906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).