1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

C16H20N2O3 — CID 102530470

IUPAC1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESCOc1ccccc1C(N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C16H20N2O3/c1-21-13-7-3-2-6-12(13)16(17-10-4-8-14(17)19)18-11-5-9-15(18)20/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyATTDWTQYMUGNTJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.94
Rot. Bonds4

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

1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 102530470) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID102530470
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESCOc1ccccc1C(N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C16H20N2O3/c1-21-13-7-3-2-6-12(13)16(17-10-4-8-14(17)19)18-11-5-9-15(18)20/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyATTDWTQYMUGNTJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530474
1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530475
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
1-[(Z)-2-(2-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 102415035
1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 1219935
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101
1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
CID 102310465
1-[1-(2-ethenylphenoxy)ethyl]piperidin-2-one
CID 70232345
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenoxyphenyl)ethyl]butanamide
CID 60621260
1-(1-phenylprop-2-ynyl)pyrrolidin-2-one
CID 15014551
1-(2,6-dimethoxyphenyl)azepan-2-one
CID 172766887

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (CID 102530470) is 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is COc1ccccc1C(N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is ATTDWTQYMUGNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-13-7-3-2-6-12(13)16(17-10-4-8-14(17)19)18-11-5-9-15(18)20/h2-3,6-7,16H,4-5,8-11H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 102530470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).