1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C12H15NO2 — CID 3045447

IUPAC1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)9-13-8-2-3-12(13)14/h4-7H,2-3,8-9H2,1H3
InChIKeyJFXXBYZUNOVBOQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.82
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 3045447) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID3045447
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)9-13-8-2-3-12(13)14/h4-7H,2-3,8-9H2,1H3
InChIKeyJFXXBYZUNOVBOQ-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 3045447) is 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is JFXXBYZUNOVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)9-13-8-2-3-12(13)14/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3045447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).