1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one

C13H17NO2 — CID 117016937

IUPAC1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
SMILESCOc1ccccc1N1CCC(=O)C1(C)C
InChIInChI=1S/C13H17NO2/c1-13(2)12(15)8-9-14(13)10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3
InChIKeyWIBJYOTUHBDFFX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one

1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one (PubChem CID 117016937) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
PubChem CID117016937
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
SMILESCOc1ccccc1N1CCC(=O)C1(C)C
InChIInChI=1S/C13H17NO2/c1-13(2)12(15)8-9-14(13)10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3
InChIKeyWIBJYOTUHBDFFX-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957
1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016911
4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one
CID 117023902
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one
CID 117019137
4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023693
1-(2,5-dichlorophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016966
3-(2-methoxyphenyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 62819757
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 134087367
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one (CID 117016937) is 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one is COc1ccccc1N1CCC(=O)C1(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one?
The InChIKey is WIBJYOTUHBDFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)12(15)8-9-14(13)10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one?
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one has a molecular weight of 219.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 117016937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).