1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione

C19H23NO3 — CID 134443350

IUPAC1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C1CCC1C(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H23NO3/c1-19(2,3)15-8-7-14(15)18(23)12-5-4-6-13(11-12)20-16(21)9-10-17(20)22/h4-6,11,14-15H,7-10H2,1-3H3
InChIKeyZNOXPTWHKDLTKN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.60
Rot. Bonds3

About 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione

1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 134443350) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione
PubChem CID134443350
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C1CCC1C(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H23NO3/c1-19(2,3)15-8-7-14(15)18(23)12-5-4-6-13(11-12)20-16(21)9-10-17(20)22/h4-6,11,14-15H,7-10H2,1-3H3
InChIKeyZNOXPTWHKDLTKN-UHFFFAOYSA-N
XLogP3.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
[(1S)-1-cyanoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204595
(3S,6R)-1-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 166317624
1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione
CID 170132366
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204781
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8732386
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204672
[(1R,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 51730299
[2-(methylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204522
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] acetate
CID 761230
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 54918750

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione (CID 134443350) is 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione is CC(C)(C)C1CCC1C(=O)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is ZNOXPTWHKDLTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,3)15-8-7-14(15)18(23)12-5-4-6-13(11-12)20-16(21)9-10-17(20)22/h4-6,11,14-15H,7-10H2,1-3H3.
What are the key properties of 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione?
1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 313.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butylcyclobutanecarbonyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134443350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).