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

C7H8 — CID 154710057

IUPAC1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])=C([2H])C1=CC=CC1
InChIInChI=1S/C7H8/c1-2-7-5-3-4-6-7/h2-5H,1,6H2/i1D2,2D
InChIKeyQCNANSHOVAHMSD-FUDHJZNOSA-N
MW95.16 g/mol
LogP2.06
Rot. Bonds1

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

1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene (PubChem CID 154710057) has the molecular formula C7H8 and a molecular weight of 95.16 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 CID154710057
Molecular FormulaC7H8
Molecular Weight95.16 g/mol
Exact Mass95.08
IUPAC Name1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])=C([2H])C1=CC=CC1
InChIInChI=1S/C7H8/c1-2-7-5-3-4-6-7/h2-5H,1,6H2/i1D2,2D
InChIKeyQCNANSHOVAHMSD-FUDHJZNOSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid
CID 54195242
cyclohepta-1,3,5-triene-1,3-dicarbaldehyde
CID 142377844
2,6-bis[(Z)-2-cyclopenta-1,3-dien-1-ylethenyl]pyridine
CID 101013557
3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
CID 18343923
(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
CID 177495659
(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole
CID 101069457
1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine
CID 143375200
1-[(E)-cyclopent-2-en-1-ylidenemethyl]cyclopenta-1,3-diene
CID 177466863
2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole
CID 15842643
3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
CID 13417814
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619

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 154710057) 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])C1=CC=CC1.
What is the InChIKey of 1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene?
The InChIKey is QCNANSHOVAHMSD-FUDHJZNOSA-N. The full InChI is InChI=1S/C7H8/c1-2-7-5-3-4-6-7/h2-5H,1,6H2/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 95.16 g/mol, XLogP of 2.06, 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 154710057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).