4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one

C13H17NO3 — CID 14537155

IUPAC4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2C)cc1OC
InChIInChI=1S/C13H17NO3/c1-8-10(7-14-13(8)15)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,10H,7H2,1-3H3,(H,14,15)
InChIKeyXLPLZVWBDGDVJU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.55
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one

4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 14537155) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID14537155
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2C)cc1OC
InChIInChI=1S/C13H17NO3/c1-8-10(7-14-13(8)15)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,10H,7H2,1-3H3,(H,14,15)
InChIKeyXLPLZVWBDGDVJU-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1548943
CID 1548943
CID 1548942
CID 1548942
CID 5092
CID 5092
CID 5311093
CID 5311093
CID 107982
CID 107982
CID 2998
CID 2998
CID 168836
CID 168836
CID 9865375
CID 9865375
CID 1042026
CID 1042026
CID 77039
CID 77039
CID 80465
CID 80465
CID 158758
CID 158758

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one (CID 14537155) is 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one is COc1ccc(C2CNC(=O)C2C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is XLPLZVWBDGDVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-10(7-14-13(8)15)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,10H,7H2,1-3H3,(H,14,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 14537155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).