1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene

C7H7- — CID 154710056

IUPAC1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])=C([2H])c1ccc[cH-]1
InChIInChI=1S/C7H7/c1-2-7-5-3-4-6-7/h2-6H,1H2/q-1/i1D2,2D
InChIKeyIBLJSQHSQVWTNN-FUDHJZNOSA-N
MW94.15 g/mol
LogP2.05
Rot. Bonds1

About 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene

1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene (PubChem CID 154710056) has the molecular formula C7H7- and a molecular weight of 94.15 g/mol. Its IUPAC name is 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
PubChem CID154710056
Molecular FormulaC7H7-
Molecular Weight94.15 g/mol
Exact Mass94.07
IUPAC Name1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])=C([2H])c1ccc[cH-]1
InChIInChI=1S/C7H7/c1-2-7-5-3-4-6-7/h2-6H,1H2/q-1/i1D2,2D
InChIKeyIBLJSQHSQVWTNN-FUDHJZNOSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-deuterio-2-(1,2,2-trideuterioethenyl)benzene
CID 175912551
1-(1,2,2-trideuterioethenyl)naphthalene
CID 154710184
cyclopenta-1,3-dien-1-ylazanide
CID 15802369
chromium(2+);bis(cyclopenta-1,3-dien-1-amine)
CID 175973663
chromium(2+);bis(1-methylcyclopenta-1,3-diene)
CID 160665189
bis(1-methylcyclopenta-1,3-diene);zirconium(2+)
CID 131719615
bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
CID 158276340
[tert-butyl(dimethyl)silyl]-cyclopenta-1,3-dien-1-ylazanide
CID 139051064
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
CID 154710057
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
N-cyclopenta-1,3-dien-1-yl-N-phenylaniline
CID 12826867

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene (CID 154710056) is 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene is [2H]C([2H])=C([2H])c1ccc[cH-]1.
What is the InChIKey of 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene?
The InChIKey is IBLJSQHSQVWTNN-FUDHJZNOSA-N. The full InChI is InChI=1S/C7H7/c1-2-7-5-3-4-6-7/h2-6H,1H2/q-1/i1D2,2D.
What are the key properties of 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene?
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene has a molecular weight of 94.15 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene is sourced from PubChem (CID 154710056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).