3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione

C13H20N2O2 — CID 79110425

IUPAC3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
SMILESCNC1CCC(N2C(=O)C(C)=C(C)C2=O)CC1
InChIInChI=1S/C13H20N2O2/c1-8-9(2)13(17)15(12(8)16)11-6-4-10(14-3)5-7-11/h10-11,14H,4-7H2,1-3H3
InChIKeyKCUYBXVWCXMVIT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.22
Rot. Bonds2

About 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione

3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione (PubChem CID 79110425) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
PubChem CID79110425
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
SMILESCNC1CCC(N2C(=O)C(C)=C(C)C2=O)CC1
InChIInChI=1S/C13H20N2O2/c1-8-9(2)13(17)15(12(8)16)11-6-4-10(14-3)5-7-11/h10-11,14H,4-7H2,1-3H3
InChIKeyKCUYBXVWCXMVIT-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.22
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 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione (CID 79110425) is 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione is CNC1CCC(N2C(=O)C(C)=C(C)C2=O)CC1.
What is the InChIKey of 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione?
The InChIKey is KCUYBXVWCXMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-9(2)13(17)15(12(8)16)11-6-4-10(14-3)5-7-11/h10-11,14H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione?
3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 79110425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).