1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione

C13H19NO3 — CID 104751309

IUPAC1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C13H19NO3/c1-9-7-12(16)14(13(9)17)8-11(15)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyAQHPPRINHHEYPW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds3

About 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione

1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 104751309) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
PubChem CID104751309
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C13H19NO3/c1-9-7-12(16)14(13(9)17)8-11(15)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyAQHPPRINHHEYPW-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 62658566
4-(2-cyclopentyl-2-oxoethyl)morpholine-3,5-dione
CID 104751314
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513713
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62299952
(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381
3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
CID 62024199
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 55136659
3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
CID 103072064
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione (CID 104751309) is 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC(=O)C2CCCCC2)C1=O.
What is the InChIKey of 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is AQHPPRINHHEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-12(16)14(13(9)17)8-11(15)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione?
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 237.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 104751309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).