[(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane

C10H12 — CID 135080348

IUPAC[(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane
SMILESC(#CC1CC1)/C=C/C1CC1
InChIInChI=1S/C10H12/c1(3-9-5-6-9)2-4-10-7-8-10/h1,3,9-10H,5-8H2/b3-1+
InChIKeyAXZNMGBTAOBRMU-HNQUOIGGSA-N
MW132.21 g/mol
LogP2.37
Rot. Bonds1

About [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane

[(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane (PubChem CID 135080348) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane.

Molecular Properties

Compound Name[(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane
PubChem CID135080348
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name[(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane
SMILESC(#CC1CC1)/C=C/C1CC1
InChIInChI=1S/C10H12/c1(3-9-5-6-9)2-4-10-7-8-10/h1,3,9-10H,5-8H2/b3-1+
InChIKeyAXZNMGBTAOBRMU-HNQUOIGGSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane?
The IUPAC name of [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane (CID 135080348) is [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane.
What is the SMILES notation for [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane?
The canonical SMILES for [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane is C(#CC1CC1)/C=C/C1CC1.
What is the InChIKey of [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane?
The InChIKey is AXZNMGBTAOBRMU-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H12/c1(3-9-5-6-9)2-4-10-7-8-10/h1,3,9-10H,5-8H2/b3-1+.
What are the key properties of [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane?
[(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane has a molecular weight of 132.21 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 [(E)-4-cyclopropylbut-1-en-3-ynyl]cyclopropane is sourced from PubChem (CID 135080348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).