1-azaspiro[4.4]nona-1,3,6,8-tetraene

C8H7N — CID 150945833

IUPAC1-azaspiro[4.4]nona-1,3,6,8-tetraene
SMILESC1=CC2(C=C1)C=CC=N2
InChIInChI=1S/C8H7N/c1-2-5-8(4-1)6-3-7-9-8/h1-7H
InChIKeyLJAKIMLMWMNXRI-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.49
Rot. Bonds

About 1-azaspiro[4.4]nona-1,3,6,8-tetraene

1-azaspiro[4.4]nona-1,3,6,8-tetraene (PubChem CID 150945833) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-azaspiro[4.4]nona-1,3,6,8-tetraene.

Molecular Properties

Compound Name1-azaspiro[4.4]nona-1,3,6,8-tetraene
PubChem CID150945833
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name1-azaspiro[4.4]nona-1,3,6,8-tetraene
SMILESC1=CC2(C=C1)C=CC=N2
InChIInChI=1S/C8H7N/c1-2-5-8(4-1)6-3-7-9-8/h1-7H
InChIKeyLJAKIMLMWMNXRI-UHFFFAOYSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-azaspiro[4.4]nona-1,3,6,8-tetraene 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 1-azaspiro[4.4]nona-1,3,6,8-tetraene?
The IUPAC name of 1-azaspiro[4.4]nona-1,3,6,8-tetraene (CID 150945833) is 1-azaspiro[4.4]nona-1,3,6,8-tetraene.
What is the SMILES notation for 1-azaspiro[4.4]nona-1,3,6,8-tetraene?
The canonical SMILES for 1-azaspiro[4.4]nona-1,3,6,8-tetraene is C1=CC2(C=C1)C=CC=N2.
What is the InChIKey of 1-azaspiro[4.4]nona-1,3,6,8-tetraene?
The InChIKey is LJAKIMLMWMNXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-5-8(4-1)6-3-7-9-8/h1-7H.
What are the key properties of 1-azaspiro[4.4]nona-1,3,6,8-tetraene?
1-azaspiro[4.4]nona-1,3,6,8-tetraene has a molecular weight of 117.15 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.4]nona-1,3,6,8-tetraene is sourced from PubChem (CID 150945833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).