3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione

C10H9NO3 — CID 514104

IUPAC3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione
SMILESO=C1Cc2ccccc2CC(=O)N1O
InChIInChI=1S/C10H9NO3/c12-9-5-7-3-1-2-4-8(7)6-10(13)11(9)14/h1-4,14H,5-6H2
InChIKeyDQAXPTQNKZMKAH-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.53
Rot. Bonds

About 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione

3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione (PubChem CID 514104) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione
PubChem CID514104
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione
SMILESO=C1Cc2ccccc2CC(=O)N1O
InChIInChI=1S/C10H9NO3/c12-9-5-7-3-1-2-4-8(7)6-10(13)11(9)14/h1-4,14H,5-6H2
InChIKeyDQAXPTQNKZMKAH-UHFFFAOYSA-N
XLogP0.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione?
The IUPAC name of 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione (CID 514104) is 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione.
What is the SMILES notation for 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione?
The canonical SMILES for 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione is O=C1Cc2ccccc2CC(=O)N1O.
What is the InChIKey of 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione?
The InChIKey is DQAXPTQNKZMKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-5-7-3-1-2-4-8(7)6-10(13)11(9)14/h1-4,14H,5-6H2.
What are the key properties of 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione?
3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione is sourced from PubChem (CID 514104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).