1,1-dideuterio-2-ethenylcyclopropane

C5H8 — CID 152527695

IUPAC1,1-dideuterio-2-ethenylcyclopropane
SMILES[2H]C1([2H])CC1C=C
InChIInChI=1S/C5H8/c1-2-5-3-4-5/h2,5H,1,3-4H2/i3D2
InChIKeyYIWFBNMYFYINAD-SMZGMGDZSA-N
MW70.13 g/mol
LogP1.58
Rot. Bonds1

About 1,1-dideuterio-2-ethenylcyclopropane

1,1-dideuterio-2-ethenylcyclopropane (PubChem CID 152527695) has the molecular formula C5H8 and a molecular weight of 70.13 g/mol. Its IUPAC name is 1,1-dideuterio-2-ethenylcyclopropane.

Molecular Properties

Compound Name1,1-dideuterio-2-ethenylcyclopropane
PubChem CID152527695
Molecular FormulaC5H8
Molecular Weight70.13 g/mol
Exact Mass70.08
IUPAC Name1,1-dideuterio-2-ethenylcyclopropane
SMILES[2H]C1([2H])CC1C=C
InChIInChI=1S/C5H8/c1-2-5-3-4-5/h2,5H,1,3-4H2/i3D2
InChIKeyYIWFBNMYFYINAD-SMZGMGDZSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.13
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 1,1-dideuterio-2-ethenylcyclopropane?
The IUPAC name of 1,1-dideuterio-2-ethenylcyclopropane (CID 152527695) is 1,1-dideuterio-2-ethenylcyclopropane.
What is the SMILES notation for 1,1-dideuterio-2-ethenylcyclopropane?
The canonical SMILES for 1,1-dideuterio-2-ethenylcyclopropane is [2H]C1([2H])CC1C=C.
What is the InChIKey of 1,1-dideuterio-2-ethenylcyclopropane?
The InChIKey is YIWFBNMYFYINAD-SMZGMGDZSA-N. The full InChI is InChI=1S/C5H8/c1-2-5-3-4-5/h2,5H,1,3-4H2/i3D2.
What are the key properties of 1,1-dideuterio-2-ethenylcyclopropane?
1,1-dideuterio-2-ethenylcyclopropane has a molecular weight of 70.13 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 1,1-dideuterio-2-ethenylcyclopropane is sourced from PubChem (CID 152527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).