1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione

C16H28N2O2 — CID 61166039

IUPAC1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
SMILESCC(C)(C)CNC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-16(2,3)11-17-13-10-14(19)18(15(13)20)12-8-6-4-5-7-9-12/h12-13,17H,4-11H2,1-3H3
InChIKeyRWRRQHJESQKEFX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

About 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione

1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione (PubChem CID 61166039) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
PubChem CID61166039
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
SMILESCC(C)(C)CNC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-16(2,3)11-17-13-10-14(19)18(15(13)20)12-8-6-4-5-7-9-12/h12-13,17H,4-11H2,1-3H3
InChIKeyRWRRQHJESQKEFX-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
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-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione (CID 61166039) is 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione is CC(C)(C)CNC1CC(=O)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is RWRRQHJESQKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)11-17-13-10-14(19)18(15(13)20)12-8-6-4-5-7-9-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 61166039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).