1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one

C15H22N2O2 — CID 117023357

IUPAC1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(c2ccccc2OC)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-15(2)11(10-16-3)9-14(18)17(15)12-7-5-6-8-13(12)19-4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyGSMYPZCMPQESGV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.05
Rot. Bonds4

About 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one

1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one (PubChem CID 117023357) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
PubChem CID117023357
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(c2ccccc2OC)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-15(2)11(10-16-3)9-14(18)17(15)12-7-5-6-8-13(12)19-4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyGSMYPZCMPQESGV-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023248
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117017824
4-(2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2829122
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019738
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
CID 95123830
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one (CID 117023357) is 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one is CNCC1CC(=O)N(c2ccccc2OC)C1(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The InChIKey is GSMYPZCMPQESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)11(10-16-3)9-14(18)17(15)12-7-5-6-8-13(12)19-4/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 117023357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).