3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione

C13H10N2O2 — CID 11117738

IUPAC3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2ccc3ccccc3c2N1
InChIInChI=1S/C13H10N2O2/c16-11-7-14-13(17)10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyYEGNVXFAMUZUFX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.52
Rot. Bonds

About 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione

3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione (PubChem CID 11117738) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione.

Molecular Properties

Compound Name3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione
PubChem CID11117738
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2ccc3ccccc3c2N1
InChIInChI=1S/C13H10N2O2/c16-11-7-14-13(17)10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyYEGNVXFAMUZUFX-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione?
The IUPAC name of 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione (CID 11117738) is 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione.
What is the SMILES notation for 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione?
The canonical SMILES for 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione is O=C1CNC(=O)c2ccc3ccccc3c2N1.
What is the InChIKey of 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione?
The InChIKey is YEGNVXFAMUZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-11-7-14-13(17)10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-6H,7H2,(H,14,17)(H,15,16).
What are the key properties of 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione?
3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione has a molecular weight of 226.23 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione is sourced from PubChem (CID 11117738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).