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

C15H19NO3 — CID 23724295

IUPAC2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOc1ccc(CN2C(=O)C(C)=C(C)C2OC)cc1
InChIInChI=1S/C15H19NO3/c1-10-11(2)15(19-4)16(14(10)17)9-12-5-7-13(18-3)8-6-12/h5-8,15H,9H2,1-4H3
InChIKeyYXOONWJBSRRNIY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.35
Rot. Bonds4

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

2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 23724295) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID23724295
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOc1ccc(CN2C(=O)C(C)=C(C)C2OC)cc1
InChIInChI=1S/C15H19NO3/c1-10-11(2)15(19-4)16(14(10)17)9-12-5-7-13(18-3)8-6-12/h5-8,15H,9H2,1-4H3
InChIKeyYXOONWJBSRRNIY-UHFFFAOYSA-N
XLogP2.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one (CID 23724295) is 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one is COc1ccc(CN2C(=O)C(C)=C(C)C2OC)cc1.
What is the InChIKey of 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is YXOONWJBSRRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-11(2)15(19-4)16(14(10)17)9-12-5-7-13(18-3)8-6-12/h5-8,15H,9H2,1-4H3.
What are the key properties of 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 261.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 23724295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).