1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione

C17H19NO3 — CID 10946039

IUPAC1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(C(=O)CN2C(=O)CCC2=O)C1
InChIInChI=1S/C17H19NO3/c1-17(13-5-3-2-4-6-13)9-12(10-17)14(19)11-18-15(20)7-8-16(18)21/h2-6,12H,7-11H2,1H3
InChIKeyNKGMGLOQJGMWJV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 10946039) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID10946039
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(C(=O)CN2C(=O)CCC2=O)C1
InChIInChI=1S/C17H19NO3/c1-17(13-5-3-2-4-6-13)9-12(10-17)14(19)11-18-15(20)7-8-16(18)21/h2-6,12H,7-11H2,1H3
InChIKeyNKGMGLOQJGMWJV-UHFFFAOYSA-N
XLogP2.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 10946039) is 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione is CC1(c2ccccc2)CC(C(=O)CN2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NKGMGLOQJGMWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(13-5-3-2-4-6-13)9-12(10-17)14(19)11-18-15(20)7-8-16(18)21/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 285.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10946039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).