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

C12H15NO3 — CID 66106301

IUPAC4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(C2CNC(=O)C2)c1OC
InChIInChI=1S/C12H15NO3/c1-15-10-5-3-4-9(12(10)16-2)8-6-11(14)13-7-8/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyHILNJRIZQUPVHX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds3

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

4-(2,3-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 66106301) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID66106301
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(C2CNC(=O)C2)c1OC
InChIInChI=1S/C12H15NO3/c1-15-10-5-3-4-9(12(10)16-2)8-6-11(14)13-7-8/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyHILNJRIZQUPVHX-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one (CID 66106301) is 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one is COc1cccc(C2CNC(=O)C2)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is HILNJRIZQUPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-10-5-3-4-9(12(10)16-2)8-6-11(14)13-7-8/h3-5,8H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one?
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 66106301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).