1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one

C12H15NO2 — CID 23053179

IUPAC1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
SMILESCOc1ccccc1CN1CCC(=O)C1
InChIInChI=1S/C12H15NO2/c1-15-12-5-3-2-4-10(12)8-13-7-6-11(14)9-13/h2-5H,6-9H2,1H3
InChIKeyPIIYRCHENJOJEU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.47
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one

1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one (PubChem CID 23053179) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
PubChem CID23053179
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
SMILESCOc1ccccc1CN1CCC(=O)C1
InChIInChI=1S/C12H15NO2/c1-15-12-5-3-2-4-10(12)8-13-7-6-11(14)9-13/h2-5H,6-9H2,1H3
InChIKeyPIIYRCHENJOJEU-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
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7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
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4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
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1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
8,31-bis[(2-methoxyphenyl)methyl]-15,24-dimethyl-8,15,24,31-tetrazatricyclo[31.2.2.23,6]nonatriaconta-1(35),3(39),4,6(38),33,36-hexaene
CID 11104775

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one (CID 23053179) is 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one is COc1ccccc1CN1CCC(=O)C1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one?
The InChIKey is PIIYRCHENJOJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12-5-3-2-4-10(12)8-13-7-6-11(14)9-13/h2-5H,6-9H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one?
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one is sourced from PubChem (CID 23053179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).