5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine

C13H12N2 — CID 22397660

IUPAC5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine
SMILESC1=CC2=c3ccccc3=CNNC2C=C1
InChIInChI=1S/C13H12N2/c1-2-6-11-10(5-1)9-14-15-13-8-4-3-7-12(11)13/h1-9,13-15H
InChIKeyQYONZVOTFKIKBE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.18
Rot. Bonds

About 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine

5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine (PubChem CID 22397660) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine.

Molecular Properties

Compound Name5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine
PubChem CID22397660
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine
SMILESC1=CC2=c3ccccc3=CNNC2C=C1
InChIInChI=1S/C13H12N2/c1-2-6-11-10(5-1)9-14-15-13-8-4-3-7-12(11)13/h1-9,13-15H
InChIKeyQYONZVOTFKIKBE-UHFFFAOYSA-N
XLogP0.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine?
The IUPAC name of 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine (CID 22397660) is 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine.
What is the SMILES notation for 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine?
The canonical SMILES for 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine is C1=CC2=c3ccccc3=CNNC2C=C1.
What is the InChIKey of 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine?
The InChIKey is QYONZVOTFKIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-6-11-10(5-1)9-14-15-13-8-4-3-7-12(11)13/h1-9,13-15H.
What are the key properties of 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine?
5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine has a molecular weight of 196.25 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine is sourced from PubChem (CID 22397660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).