1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione

C16H20N2O2 — CID 102738905

IUPAC1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione
SMILESN[C@@H]1CCCC[C@H]1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10,17H2/t12?,13-,14-/m1/s1
InChIKeyRKWSHLNXYODJOU-ILMHWDKJSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds2

About 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione

1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 102738905) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID102738905
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione
SMILESN[C@@H]1CCCC[C@H]1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10,17H2/t12?,13-,14-/m1/s1
InChIKeyRKWSHLNXYODJOU-ILMHWDKJSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
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-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione (CID 102738905) is 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione is N[C@@H]1CCCC[C@H]1N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is RKWSHLNXYODJOU-ILMHWDKJSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10,17H2/t12?,13-,14-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione?
1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 102738905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).