3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C14H17NO3 — CID 584279

IUPAC3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2(C)CC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-11-6-4-10(5-7-11)14(3)8-12(16)15-13(14)17/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeyUOICYSLPGIMBQN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 584279) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID584279
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2(C)CC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-11-6-4-10(5-7-11)14(3)8-12(16)15-13(14)17/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeyUOICYSLPGIMBQN-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(4-propan-2-yloxyphenyl)oxolane-2,5-dione
CID 43247298
3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione
CID 43332655
2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
CID 82997997
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
5,5-dimethyl-3-(4-propan-2-yloxyphenyl)cyclohex-2-en-1-one
CID 65177399
3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione
CID 166552758
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 15817594
3,3-dimethyl-1-(4-propan-2-yloxyphenyl)-1,4-diazepane-2,5-dione
CID 64959951
2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile
CID 116841843
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
CID 79310291
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 584279) is 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is CC(C)Oc1ccc(C2(C)CC(=O)NC2=O)cc1.
What is the InChIKey of 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is UOICYSLPGIMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)18-11-6-4-10(5-7-11)14(3)8-12(16)15-13(14)17/h4-7,9H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 584279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).