3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane

C11H14 — CID 163850420

IUPAC3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
SMILESC1=CCC(C2CC3CC3C2)=C1
InChIInChI=1S/C11H14/c1-2-4-8(3-1)9-5-10-7-11(10)6-9/h1-3,9-11H,4-7H2
InChIKeyOTWYGXIHPQSGLJ-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.92
Rot. Bonds1

About 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane

3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane (PubChem CID 163850420) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
PubChem CID163850420
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
SMILESC1=CCC(C2CC3CC3C2)=C1
InChIInChI=1S/C11H14/c1-2-4-8(3-1)9-5-10-7-11(10)6-9/h1-3,9-11H,4-7H2
InChIKeyOTWYGXIHPQSGLJ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
CID 70131758
(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
CID 102279327
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625
cobalt;5-cyclopenta-1,3-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 159859383
2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane
CID 165026103
1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
CID 90750865
6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene
CID 163467711
(1Z)-3-cyclopenta-1,3-dien-1-ylcyclodecene
CID 163639530
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 70892220
8,8a-dihydro-4H-naphthalen-1-one
CID 57102045
1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one
CID 168831082

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane (CID 163850420) is 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane is C1=CCC(C2CC3CC3C2)=C1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane?
The InChIKey is OTWYGXIHPQSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-4-8(3-1)9-5-10-7-11(10)6-9/h1-3,9-11H,4-7H2.
What are the key properties of 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane?
3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane has a molecular weight of 146.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 163850420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).