3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione

C16H19NO2 — CID 82120778

IUPAC3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(C3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C16H19NO2/c18-15-10-14(16(19)17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10H2,(H,17,18,19)
InChIKeyMHZGNUDOEZYROQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.86
Rot. Bonds2

About 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione

3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione (PubChem CID 82120778) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
PubChem CID82120778
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(C3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C16H19NO2/c18-15-10-14(16(19)17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10H2,(H,17,18,19)
InChIKeyMHZGNUDOEZYROQ-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
CID 82113669
3-naphthalen-2-ylpyrrolidine-2,5-dione
CID 102081693
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
CID 166117144
(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione
CID 124547014
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione
CID 154731471

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione (CID 82120778) is 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione is O=C1CC(c2ccc(C3CCCCC3)cc2)C(=O)N1.
What is the InChIKey of 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione?
The InChIKey is MHZGNUDOEZYROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-10-14(16(19)17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10H2,(H,17,18,19).
What are the key properties of 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione?
3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione has a molecular weight of 257.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 82120778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).