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

C14H23NO2 — CID 140780050

IUPAC3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione
SMILESCC(CC1C(=O)NC(=O)C1C)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-9(11-6-4-3-5-7-11)8-12-10(2)13(16)15-14(12)17/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJHRBZJZSVDDFIS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.50
Rot. Bonds3

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

3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 140780050) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione
PubChem CID140780050
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione
SMILESCC(CC1C(=O)NC(=O)C1C)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-9(11-6-4-3-5-7-11)8-12-10(2)13(16)15-14(12)17/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJHRBZJZSVDDFIS-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.50
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

1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione
CID 59681991
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
butan-2-ylcyclohexadecane
CID 123713671
2-cyclopentylpropyl formate
CID 89150762
4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
CID 130825895
1-(2-cyclononylpropyl)pyrrole-2,5-dione
CID 123502903
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
butan-2-ylcyclohexane;ethane
CID 143005290
2-cyclohexylpropylbenzene
CID 15846297
butan-2-ylcyclohexane;ethane;propane
CID 143477078

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione (CID 140780050) is 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione is CC(CC1C(=O)NC(=O)C1C)C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is JHRBZJZSVDDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(11-6-4-3-5-7-11)8-12-10(2)13(16)15-14(12)17/h9-12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione?
3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 140780050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).