1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride

C11H19ClN2O2 — CID 126467797

IUPAC1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride
SMILESCNC1CC(=O)N(C2CCCCC2)C1=O.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-12-9-7-10(14)13(11(9)15)8-5-3-2-4-6-8;/h8-9,12H,2-7H2,1H3;1H
InChIKeyHDSCRLMENKPYLA-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.09
Rot. Bonds2

About 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride

1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride (PubChem CID 126467797) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride
PubChem CID126467797
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride
SMILESCNC1CC(=O)N(C2CCCCC2)C1=O.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-12-9-7-10(14)13(11(9)15)8-5-3-2-4-6-8;/h8-9,12H,2-7H2,1H3;1H
InChIKeyHDSCRLMENKPYLA-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.09
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 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride (CID 126467797) is 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride is CNC1CC(=O)N(C2CCCCC2)C1=O.Cl.
What is the InChIKey of 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is HDSCRLMENKPYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-12-9-7-10(14)13(11(9)15)8-5-3-2-4-6-8;/h8-9,12H,2-7H2,1H3;1H.
What are the key properties of 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride?
1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 126467797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).