8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene

C7H8N2 — CID 90385632

IUPAC8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene
SMILESc1nn2c3c1CCCC32
InChIInChI=1S/C7H8N2/c1-2-5-4-8-9-6(3-1)7(5)9/h4,6H,1-3H2
InChIKeyDYUMXXSASTYJRX-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.12
Rot. Bonds

About 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene

8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene (PubChem CID 90385632) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene.

Molecular Properties

Compound Name8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene
PubChem CID90385632
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene
SMILESc1nn2c3c1CCCC32
InChIInChI=1S/C7H8N2/c1-2-5-4-8-9-6(3-1)7(5)9/h4,6H,1-3H2
InChIKeyDYUMXXSASTYJRX-UHFFFAOYSA-N
XLogP1.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene?
The IUPAC name of 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene (CID 90385632) is 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene.
What is the SMILES notation for 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene?
The canonical SMILES for 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene is c1nn2c3c1CCCC32.
What is the InChIKey of 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene?
The InChIKey is DYUMXXSASTYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-5-4-8-9-6(3-1)7(5)9/h4,6H,1-3H2.
What are the key properties of 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene?
8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene has a molecular weight of 120.15 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene is sourced from PubChem (CID 90385632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).