8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione

C16H19NO2 — CID 82159815

IUPAC8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
SMILESO=C1CCc2ccc(C3CCCCC3)cc2C(=O)N1
InChIInChI=1S/C16H19NO2/c18-15-9-8-12-6-7-13(10-14(12)16(19)17-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18,19)
InChIKeyHMTBTEIUFNDOQU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.94
Rot. Bonds1

About 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione

8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione (PubChem CID 82159815) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione.

Molecular Properties

Compound Name8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
PubChem CID82159815
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
SMILESO=C1CCc2ccc(C3CCCCC3)cc2C(=O)N1
InChIInChI=1S/C16H19NO2/c18-15-9-8-12-6-7-13(10-14(12)16(19)17-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18,19)
InChIKeyHMTBTEIUFNDOQU-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
The IUPAC name of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione (CID 82159815) is 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione.
What is the SMILES notation for 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
The canonical SMILES for 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione is O=C1CCc2ccc(C3CCCCC3)cc2C(=O)N1.
What is the InChIKey of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
The InChIKey is HMTBTEIUFNDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-9-8-12-6-7-13(10-14(12)16(19)17-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18,19).
What are the key properties of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione has a molecular weight of 257.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione is sourced from PubChem (CID 82159815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).