(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine

C9H10N2O — CID 164576108

IUPAC(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine
SMILESC1=N\CNCOc2ccccc2/1
InChIInChI=1S/C9H10N2O/c1-2-4-9-8(3-1)5-10-6-11-7-12-9/h1-5,11H,6-7H2/b10-5-
InChIKeyKTIYUFCZXAXTJY-YHYXMXQVSA-N
MW162.19 g/mol
LogP1.00
Rot. Bonds

About (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine

(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine (PubChem CID 164576108) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine.

Molecular Properties

Compound Name(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine
PubChem CID164576108
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine
SMILESC1=N\CNCOc2ccccc2/1
InChIInChI=1S/C9H10N2O/c1-2-4-9-8(3-1)5-10-6-11-7-12-9/h1-5,11H,6-7H2/b10-5-
InChIKeyKTIYUFCZXAXTJY-YHYXMXQVSA-N
XLogP1.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
The IUPAC name of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine (CID 164576108) is (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine.
What is the SMILES notation for (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
The canonical SMILES for (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine is C1=N\CNCOc2ccccc2/1.
What is the InChIKey of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
The InChIKey is KTIYUFCZXAXTJY-YHYXMXQVSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-4-9-8(3-1)5-10-6-11-7-12-9/h1-5,11H,6-7H2/b10-5-.
What are the key properties of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine has a molecular weight of 162.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine is sourced from PubChem (CID 164576108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).