8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione

C12H11NO3 — CID 10680274

IUPAC8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESCCc1ccc2c(O)cc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-2-7-3-4-8-9(5-7)13-12(16)11(15)6-10(8)14/h3-6,14H,2H2,1H3,(H,13,15,16)
InChIKeyFPLGJFSMGRDPES-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.16
Rot. Bonds1

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

8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione (PubChem CID 10680274) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione
PubChem CID10680274
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESCCc1ccc2c(O)cc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-2-7-3-4-8-9(5-7)13-12(16)11(15)6-10(8)14/h3-6,14H,2H2,1H3,(H,13,15,16)
InChIKeyFPLGJFSMGRDPES-UHFFFAOYSA-N
XLogP1.16
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 54680871
CID 54680871
CID 54678416
CID 54678416
CID 126810
CID 126810
CID 15029643
CID 15029643
CID 21812299
CID 21812299
CID 54684062
CID 54684062
CID 54683986
CID 54683986
CID 339292
CID 339292
CID 54680872
CID 54680872
CID 54687814
CID 54687814
CID 54689167
CID 54689167
CID 10104763
CID 10104763

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione?
The IUPAC name of 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione (CID 10680274) is 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione is CCc1ccc2c(O)cc(=O)c(=O)[nH]c2c1.
What is the InChIKey of 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione?
The InChIKey is FPLGJFSMGRDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-7-3-4-8-9(5-7)13-12(16)11(15)6-10(8)14/h3-6,14H,2H2,1H3,(H,13,15,16).
What are the key properties of 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione?
8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione has a molecular weight of 217.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 10680274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).