3-cyclopropylcyclopropene

C6H8 — CID 102505054

IUPAC3-cyclopropylcyclopropene
SMILESC1=CC1C1CC1
InChIInChI=1S/C6H8/c1-2-5(1)6-3-4-6/h1-2,5-6H,3-4H2
InChIKeyKKXJDIMXZMQLRZ-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.58
Rot. Bonds1

About 3-cyclopropylcyclopropene

3-cyclopropylcyclopropene (PubChem CID 102505054) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 3-cyclopropylcyclopropene.

Molecular Properties

Compound Name3-cyclopropylcyclopropene
PubChem CID102505054
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name3-cyclopropylcyclopropene
SMILESC1=CC1C1CC1
InChIInChI=1S/C6H8/c1-2-5(1)6-3-4-6/h1-2,5-6H,3-4H2
InChIKeyKKXJDIMXZMQLRZ-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.58
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 3-cyclopropylcyclopropene?
The IUPAC name of 3-cyclopropylcyclopropene (CID 102505054) is 3-cyclopropylcyclopropene.
What is the SMILES notation for 3-cyclopropylcyclopropene?
The canonical SMILES for 3-cyclopropylcyclopropene is C1=CC1C1CC1.
What is the InChIKey of 3-cyclopropylcyclopropene?
The InChIKey is KKXJDIMXZMQLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-2-5(1)6-3-4-6/h1-2,5-6H,3-4H2.
What are the key properties of 3-cyclopropylcyclopropene?
3-cyclopropylcyclopropene has a molecular weight of 80.13 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylcyclopropene is sourced from PubChem (CID 102505054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).