1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione

C16H24N2O3 — CID 80715430

IUPAC1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CC3CCC2O3)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-15-9-13(17-12-8-11-6-7-14(12)21-11)16(20)18(15)10-4-2-1-3-5-10/h10-14,17H,1-9H2
InChIKeyQEKNCJXOVYZWEU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.36
Rot. Bonds3

About 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione

1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 80715430) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID80715430
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CC3CCC2O3)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-15-9-13(17-12-8-11-6-7-14(12)21-11)16(20)18(15)10-4-2-1-3-5-10/h10-14,17H,1-9H2
InChIKeyQEKNCJXOVYZWEU-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione with MolForge

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Related Compounds

1-cyclopentyl-3-[(2-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 63277959
1-cyclopentyl-3-[(2,3-dimethylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 64907613
1-cyclohexyl-3-[(2-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 62093415
1-cyclohexyl-3-[(1-methylpyrrolidin-3-yl)amino]pyrrolidine-2,5-dione
CID 61462553
1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 43636099
3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
CID 62903654
1-cyclohexyl-3-[(1-methylcyclopropyl)amino]pyrrolidine-2,5-dione
CID 113485379
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637603
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione (CID 80715430) is 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione is O=C1CC(NC2CC3CCC2O3)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is QEKNCJXOVYZWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15-9-13(17-12-8-11-6-7-14(12)21-11)16(20)18(15)10-4-2-1-3-5-10/h10-14,17H,1-9H2.
What are the key properties of 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione?
1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 80715430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).