3-cyclopropylbut-3-enylcyclopropane

C10H16 — CID 90791571

IUPAC3-cyclopropylbut-3-enylcyclopropane
SMILESC=C(CCC1CC1)C1CC1
InChIInChI=1S/C10H16/c1-8(10-6-7-10)2-3-9-4-5-9/h9-10H,1-7H2
InChIKeyYNEHWIPRJKVGBI-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds4

About 3-cyclopropylbut-3-enylcyclopropane

3-cyclopropylbut-3-enylcyclopropane (PubChem CID 90791571) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-cyclopropylbut-3-enylcyclopropane.

Molecular Properties

Compound Name3-cyclopropylbut-3-enylcyclopropane
PubChem CID90791571
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-cyclopropylbut-3-enylcyclopropane
SMILESC=C(CCC1CC1)C1CC1
InChIInChI=1S/C10H16/c1-8(10-6-7-10)2-3-9-4-5-9/h9-10H,1-7H2
InChIKeyYNEHWIPRJKVGBI-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
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-cyclopropylbut-3-enylcyclopropane?
The IUPAC name of 3-cyclopropylbut-3-enylcyclopropane (CID 90791571) is 3-cyclopropylbut-3-enylcyclopropane.
What is the SMILES notation for 3-cyclopropylbut-3-enylcyclopropane?
The canonical SMILES for 3-cyclopropylbut-3-enylcyclopropane is C=C(CCC1CC1)C1CC1.
What is the InChIKey of 3-cyclopropylbut-3-enylcyclopropane?
The InChIKey is YNEHWIPRJKVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(10-6-7-10)2-3-9-4-5-9/h9-10H,1-7H2.
What are the key properties of 3-cyclopropylbut-3-enylcyclopropane?
3-cyclopropylbut-3-enylcyclopropane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylbut-3-enylcyclopropane is sourced from PubChem (CID 90791571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).