(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene

C7H10 — CID 136742471

IUPAC(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
SMILES[2H][C@@H]1[C@H]([2H])[C@H]2CC=C[C@H]12
InChIInChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7-/m1/s1/i4D,5D/t4-,5+,6-,7-
InChIKeySLCAVPTUVCCIIB-AJWMPYJDSA-N
MW96.17 g/mol
LogP1.97
Rot. Bonds

About (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene

(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene (PubChem CID 136742471) has the molecular formula C7H10 and a molecular weight of 96.17 g/mol. Its IUPAC name is (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
PubChem CID136742471
Molecular FormulaC7H10
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
SMILES[2H][C@@H]1[C@H]([2H])[C@H]2CC=C[C@H]12
InChIInChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7-/m1/s1/i4D,5D/t4-,5+,6-,7-
InChIKeySLCAVPTUVCCIIB-AJWMPYJDSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 51.97
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 (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene (CID 136742471) is (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene is [2H][C@@H]1[C@H]([2H])[C@H]2CC=C[C@H]12.
What is the InChIKey of (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene?
The InChIKey is SLCAVPTUVCCIIB-AJWMPYJDSA-N. The full InChI is InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7-/m1/s1/i4D,5D/t4-,5+,6-,7-.
What are the key properties of (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene?
(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene has a molecular weight of 96.17 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 136742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).