8,9-dihydro-7H-2,3-benzodiazepine

C9H10N2 — CID 22119521

IUPAC8,9-dihydro-7H-2,3-benzodiazepine
SMILESC1=CC2=CCCCC2=CN=N1
InChIInChI=1S/C9H10N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h3,5-7H,1-2,4H2
InChIKeyOTWAADGCNBBRTQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.96
Rot. Bonds

About 8,9-dihydro-7H-2,3-benzodiazepine

8,9-dihydro-7H-2,3-benzodiazepine (PubChem CID 22119521) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 8,9-dihydro-7H-2,3-benzodiazepine.

Molecular Properties

Compound Name8,9-dihydro-7H-2,3-benzodiazepine
PubChem CID22119521
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name8,9-dihydro-7H-2,3-benzodiazepine
SMILESC1=CC2=CCCCC2=CN=N1
InChIInChI=1S/C9H10N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h3,5-7H,1-2,4H2
InChIKeyOTWAADGCNBBRTQ-UHFFFAOYSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-2,3-benzodiazepine?
The IUPAC name of 8,9-dihydro-7H-2,3-benzodiazepine (CID 22119521) is 8,9-dihydro-7H-2,3-benzodiazepine.
What is the SMILES notation for 8,9-dihydro-7H-2,3-benzodiazepine?
The canonical SMILES for 8,9-dihydro-7H-2,3-benzodiazepine is C1=CC2=CCCCC2=CN=N1.
What is the InChIKey of 8,9-dihydro-7H-2,3-benzodiazepine?
The InChIKey is OTWAADGCNBBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h3,5-7H,1-2,4H2.
What are the key properties of 8,9-dihydro-7H-2,3-benzodiazepine?
8,9-dihydro-7H-2,3-benzodiazepine has a molecular weight of 146.19 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-2,3-benzodiazepine is sourced from PubChem (CID 22119521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).