1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione

C12H17NO2 — CID 89345027

IUPAC1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione
SMILESC=C1C(=O)N(C2CCCCC2)C(=O)C1C
InChIInChI=1S/C12H17NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h9-10H,1,3-7H2,2H3
InChIKeyDTUGCAKEYFYGRR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds1

About 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione

1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione (PubChem CID 89345027) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione
PubChem CID89345027
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione
SMILESC=C1C(=O)N(C2CCCCC2)C(=O)C1C
InChIInChI=1S/C12H17NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h9-10H,1,3-7H2,2H3
InChIKeyDTUGCAKEYFYGRR-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione (CID 89345027) is 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione is C=C1C(=O)N(C2CCCCC2)C(=O)C1C.
What is the InChIKey of 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione?
The InChIKey is DTUGCAKEYFYGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h9-10H,1,3-7H2,2H3.
What are the key properties of 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione?
1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-4-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 89345027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).