1-(cyclohexylmethyl)pyrrolidine-2,5-dione

C11H17NO2 — CID 86020081

IUPAC1-(cyclohexylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CCCCC1
InChIInChI=1S/C11H17NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyPLNMJXBWNJMINP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.72
Rot. Bonds2

About 1-(cyclohexylmethyl)pyrrolidine-2,5-dione

1-(cyclohexylmethyl)pyrrolidine-2,5-dione (PubChem CID 86020081) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrrolidine-2,5-dione
PubChem CID86020081
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(cyclohexylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CCCCC1
InChIInChI=1S/C11H17NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyPLNMJXBWNJMINP-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.72
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-(cyclohexylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)pyrrolidine-2,5-dione (CID 86020081) is 1-(cyclohexylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrrolidine-2,5-dione?
The InChIKey is PLNMJXBWNJMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 1-(cyclohexylmethyl)pyrrolidine-2,5-dione?
1-(cyclohexylmethyl)pyrrolidine-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).