5-amino-2-cyclohexylisoindole-1,3-dione

C14H16N2O2 — CID 804459

IUPAC5-amino-2-cyclohexylisoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C14H16N2O2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h6-8,10H,1-5,15H2
InChIKeyVZUVOYFTHDDTLB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-2-cyclohexylisoindole-1,3-dione

5-amino-2-cyclohexylisoindole-1,3-dione (PubChem CID 804459) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-amino-2-cyclohexylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-cyclohexylisoindole-1,3-dione
PubChem CID804459
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-amino-2-cyclohexylisoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C14H16N2O2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h6-8,10H,1-5,15H2
InChIKeyVZUVOYFTHDDTLB-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-cyclohexylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclohexylisoindole-1,3-dione?
The IUPAC name of 5-amino-2-cyclohexylisoindole-1,3-dione (CID 804459) is 5-amino-2-cyclohexylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-cyclohexylisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-cyclohexylisoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 5-amino-2-cyclohexylisoindole-1,3-dione?
The InChIKey is VZUVOYFTHDDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h6-8,10H,1-5,15H2.
What are the key properties of 5-amino-2-cyclohexylisoindole-1,3-dione?
5-amino-2-cyclohexylisoindole-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclohexylisoindole-1,3-dione is sourced from PubChem (CID 804459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).