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

C12H15NO3 — CID 11775680

IUPAC4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OC
InChIInChI=1S/C12H15NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)
InChIKeyJNRKFSJWVCILHE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 11775680) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID11775680
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OC
InChIInChI=1S/C12H15NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)
InChIKeyJNRKFSJWVCILHE-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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Related Compounds

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CID 5092
Dihydrocapsaicin
CID 107982
Nonivamide
CID 2998
Nordihydrocapsaicin
CID 168836
(3S,5S)-5-(3-(Cyclopentyloxy)-4-methoxyphenyl)-3-((3-methylphenyl)methyl)-2-piperidinone
CID 9865375
N-Methylhomoveratrylamine
CID 77039
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
(S)-Rolipram
CID 158758
N-Vanillyloctanamide
CID 5316427
N-Vanillyldecanamide
CID 169252
Undecenovanillylamide
CID 160785
1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
CID 1482373

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one (CID 11775680) is 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is JNRKFSJWVCILHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-5,9H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
4-(3,4-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-(3,4-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 11775680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).