(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene

C12H12 — CID 121002324

IUPAC(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
SMILESC1=CC1C1C2/C=C\C=C/C=C\C21
InChIInChI=1S/C12H12/c1-2-4-6-11-10(5-3-1)12(11)9-7-8-9/h1-12H/b2-1-,5-3-,6-4-
InChIKeyACHYMEYHIWUFKC-XCADPSHZSA-N
MW156.23 g/mol
LogP2.72
Rot. Bonds1

About (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene

(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene (PubChem CID 121002324) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
PubChem CID121002324
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
SMILESC1=CC1C1C2/C=C\C=C/C=C\C21
InChIInChI=1S/C12H12/c1-2-4-6-11-10(5-3-1)12(11)9-7-8-9/h1-12H/b2-1-,5-3-,6-4-
InChIKeyACHYMEYHIWUFKC-XCADPSHZSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene (CID 121002324) is (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene is C1=CC1C1C2/C=C\C=C/C=C\C21.
What is the InChIKey of (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene?
The InChIKey is ACHYMEYHIWUFKC-XCADPSHZSA-N. The full InChI is InChI=1S/C12H12/c1-2-4-6-11-10(5-3-1)12(11)9-7-8-9/h1-12H/b2-1-,5-3-,6-4-.
What are the key properties of (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene?
(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene has a molecular weight of 156.23 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene is sourced from PubChem (CID 121002324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).