1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

C18H23NO2 — CID 2972321

IUPAC1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14(10-13)11-15-12-17(20)19(18(15)21)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
InChIKeyYSETTXKTZRIJTR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds3

About 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2972321) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2972321
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14(10-13)11-15-12-17(20)19(18(15)21)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
InChIKeyYSETTXKTZRIJTR-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 2972321) is 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1.
What is the InChIKey of 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is YSETTXKTZRIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-5-7-14(10-13)11-15-12-17(20)19(18(15)21)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 285.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2972321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).