1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one

C14H16FNO2 — CID 23724289

IUPAC1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-9-10(2)14(18-3)16(13(9)17)8-11-4-6-12(15)7-5-11/h4-7,14H,8H2,1-3H3
InChIKeyQNYVXKQKMPCTFY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.48
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one

1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 23724289) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID23724289
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-9-10(2)14(18-3)16(13(9)17)8-11-4-6-12(15)7-5-11/h4-7,14H,8H2,1-3H3
InChIKeyQNYVXKQKMPCTFY-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one (CID 23724289) is 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one is COC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is QNYVXKQKMPCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-10(2)14(18-3)16(13(9)17)8-11-4-6-12(15)7-5-11/h4-7,14H,8H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one?
1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 249.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 23724289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).