2-propa-1,2-dienylbicyclo[3.1.0]hexane

C9H12 — CID 15656072

IUPAC2-propa-1,2-dienylbicyclo[3.1.0]hexane
SMILESC=C=CC1CCC2CC12
InChIInChI=1S/C9H12/c1-2-3-7-4-5-8-6-9(7)8/h3,7-9H,1,4-6H2
InChIKeyXNUMLQBTGUQXDT-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.37
Rot. Bonds1

About 2-propa-1,2-dienylbicyclo[3.1.0]hexane

2-propa-1,2-dienylbicyclo[3.1.0]hexane (PubChem CID 15656072) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2-propa-1,2-dienylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-propa-1,2-dienylbicyclo[3.1.0]hexane
PubChem CID15656072
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2-propa-1,2-dienylbicyclo[3.1.0]hexane
SMILESC=C=CC1CCC2CC12
InChIInChI=1S/C9H12/c1-2-3-7-4-5-8-6-9(7)8/h3,7-9H,1,4-6H2
InChIKeyXNUMLQBTGUQXDT-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-propa-1,2-dienylbicyclo[3.1.0]hexane?
The IUPAC name of 2-propa-1,2-dienylbicyclo[3.1.0]hexane (CID 15656072) is 2-propa-1,2-dienylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2-propa-1,2-dienylbicyclo[3.1.0]hexane?
The canonical SMILES for 2-propa-1,2-dienylbicyclo[3.1.0]hexane is C=C=CC1CCC2CC12.
What is the InChIKey of 2-propa-1,2-dienylbicyclo[3.1.0]hexane?
The InChIKey is XNUMLQBTGUQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-3-7-4-5-8-6-9(7)8/h3,7-9H,1,4-6H2.
What are the key properties of 2-propa-1,2-dienylbicyclo[3.1.0]hexane?
2-propa-1,2-dienylbicyclo[3.1.0]hexane has a molecular weight of 120.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propa-1,2-dienylbicyclo[3.1.0]hexane is sourced from PubChem (CID 15656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).