5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione

C16H19NO3 — CID 57272632

IUPAC5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
SMILESCCCc1cc2[nH]c(=O)c(=O)cc(O)c2cc1CCC
InChIInChI=1S/C16H19NO3/c1-3-5-10-7-12-13(8-11(10)6-4-2)17-16(20)15(19)9-14(12)18/h7-9,18H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyOUAIVIDIHFMMFJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.50
Rot. Bonds4

About 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione

5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione (PubChem CID 57272632) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
PubChem CID57272632
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
SMILESCCCc1cc2[nH]c(=O)c(=O)cc(O)c2cc1CCC
InChIInChI=1S/C16H19NO3/c1-3-5-10-7-12-13(8-11(10)6-4-2)17-16(20)15(19)9-14(12)18/h7-9,18H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyOUAIVIDIHFMMFJ-UHFFFAOYSA-N
XLogP2.50
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-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-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
The IUPAC name of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione (CID 57272632) is 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione is CCCc1cc2[nH]c(=O)c(=O)cc(O)c2cc1CCC.
What is the InChIKey of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
The InChIKey is OUAIVIDIHFMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-5-10-7-12-13(8-11(10)6-4-2)17-16(20)15(19)9-14(12)18/h7-9,18H,3-6H2,1-2H3,(H,17,19,20).
What are the key properties of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 57272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).