tricyclo[4.3.0.03,9]nona-1(6),2,4-triene

C9H8 — CID 22742804

IUPACtricyclo[4.3.0.03,9]nona-1(6),2,4-triene
SMILESC1=CC2=C3C=C1C3CC2
InChIInChI=1S/C9H8/c1-2-7-5-9-6(1)3-4-8(7)9/h1-2,5,8H,3-4H2
InChIKeyVXSHJAJNISCUEZ-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.20
Rot. Bonds

About tricyclo[4.3.0.03,9]nona-1(6),2,4-triene

tricyclo[4.3.0.03,9]nona-1(6),2,4-triene (PubChem CID 22742804) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol. Its IUPAC name is tricyclo[4.3.0.03,9]nona-1(6),2,4-triene.

Molecular Properties

Compound Nametricyclo[4.3.0.03,9]nona-1(6),2,4-triene
PubChem CID22742804
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Nametricyclo[4.3.0.03,9]nona-1(6),2,4-triene
SMILESC1=CC2=C3C=C1C3CC2
InChIInChI=1S/C9H8/c1-2-7-5-9-6(1)3-4-8(7)9/h1-2,5,8H,3-4H2
InChIKeyVXSHJAJNISCUEZ-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.0.03,9]nona-1(6),2,4-triene?
The IUPAC name of tricyclo[4.3.0.03,9]nona-1(6),2,4-triene (CID 22742804) is tricyclo[4.3.0.03,9]nona-1(6),2,4-triene.
What is the SMILES notation for tricyclo[4.3.0.03,9]nona-1(6),2,4-triene?
The canonical SMILES for tricyclo[4.3.0.03,9]nona-1(6),2,4-triene is C1=CC2=C3C=C1C3CC2.
What is the InChIKey of tricyclo[4.3.0.03,9]nona-1(6),2,4-triene?
The InChIKey is VXSHJAJNISCUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-2-7-5-9-6(1)3-4-8(7)9/h1-2,5,8H,3-4H2.
What are the key properties of tricyclo[4.3.0.03,9]nona-1(6),2,4-triene?
tricyclo[4.3.0.03,9]nona-1(6),2,4-triene has a molecular weight of 116.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.0.03,9]nona-1(6),2,4-triene is sourced from PubChem (CID 22742804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).