5H-2,3-benzodiazepine

C9H8N2 — CID 12868192

IUPAC5H-2,3-benzodiazepine
SMILESC1=NN=Cc2ccccc2C1
InChIInChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-4,6-7H,5H2
InChIKeyYVOHCRLDUPTKOH-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.65
Rot. Bonds

About 5H-2,3-benzodiazepine

5H-2,3-benzodiazepine (PubChem CID 12868192) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 5H-2,3-benzodiazepine.

Molecular Properties

Compound Name5H-2,3-benzodiazepine
PubChem CID12868192
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name5H-2,3-benzodiazepine
SMILESC1=NN=Cc2ccccc2C1
InChIInChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-4,6-7H,5H2
InChIKeyYVOHCRLDUPTKOH-UHFFFAOYSA-N
XLogP1.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-2,3-benzodiazepine?
The IUPAC name of 5H-2,3-benzodiazepine (CID 12868192) is 5H-2,3-benzodiazepine.
What is the SMILES notation for 5H-2,3-benzodiazepine?
The canonical SMILES for 5H-2,3-benzodiazepine is C1=NN=Cc2ccccc2C1.
What is the InChIKey of 5H-2,3-benzodiazepine?
The InChIKey is YVOHCRLDUPTKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-4,6-7H,5H2.
What are the key properties of 5H-2,3-benzodiazepine?
5H-2,3-benzodiazepine has a molecular weight of 144.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-2,3-benzodiazepine is sourced from PubChem (CID 12868192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).