1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one

C18H19NO2 — CID 58020328

IUPAC1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCCC2=O)cc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-17-10-9-14(13-19-11-5-8-18(19)20)12-16(17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyNCFVJMNGLYHOMP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.48
Rot. Bonds4

About 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one

1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 58020328) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID58020328
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCCC2=O)cc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-17-10-9-14(13-19-11-5-8-18(19)20)12-16(17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyNCFVJMNGLYHOMP-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one (CID 58020328) is 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CCCC2=O)cc1-c1ccccc1.
What is the InChIKey of 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is NCFVJMNGLYHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-10-9-14(13-19-11-5-8-18(19)20)12-16(17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3.
What are the key properties of 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one?
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 58020328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).