3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione

C20H27NO3 — CID 20591032

IUPAC3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione
SMILESCCC(C1CCCCC1)C1C(=O)N(c2ccc(O)cc2)C(=O)C1C
InChIInChI=1S/C20H27NO3/c1-3-17(14-7-5-4-6-8-14)18-13(2)19(23)21(20(18)24)15-9-11-16(22)12-10-15/h9-14,17-18,22H,3-8H2,1-2H3
InChIKeyZAMMAKOTFMSVOE-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.12
Rot. Bonds4

About 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione

3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 20591032) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione
PubChem CID20591032
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione
SMILESCCC(C1CCCCC1)C1C(=O)N(c2ccc(O)cc2)C(=O)C1C
InChIInChI=1S/C20H27NO3/c1-3-17(14-7-5-4-6-8-14)18-13(2)19(23)21(20(18)24)15-9-11-16(22)12-10-15/h9-14,17-18,22H,3-8H2,1-2H3
InChIKeyZAMMAKOTFMSVOE-UHFFFAOYSA-N
XLogP4.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
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 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione (CID 20591032) is 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione is CCC(C1CCCCC1)C1C(=O)N(c2ccc(O)cc2)C(=O)C1C.
What is the InChIKey of 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is ZAMMAKOTFMSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-17(14-7-5-4-6-8-14)18-13(2)19(23)21(20(18)24)15-9-11-16(22)12-10-15/h9-14,17-18,22H,3-8H2,1-2H3.
What are the key properties of 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione?
3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 329.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 20591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).