trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane

C3H6 — CID 100919979

IUPACtrans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane
SMILES[2H][C@@H]1[C@@H]([2H])[13CH]1[2H]
InChIInChI=1S/C3H6/c1-2-3-1/h1-3H2/i1D,2D,3+1D/t1-,2-/m1/s1
InChIKeyLVZWSLJZHVFIQJ-DEXSMXIMSA-N
MW46.09 g/mol
LogP1.17
Rot. Bonds

About trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane

trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane (PubChem CID 100919979) has the molecular formula C3H6 and a molecular weight of 46.09 g/mol. Its IUPAC name is trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane
PubChem CID100919979
Molecular FormulaC3H6
Molecular Weight46.09 g/mol
Exact Mass46.07
IUPAC Nametrans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane
SMILES[2H][C@@H]1[C@@H]([2H])[13CH]1[2H]
InChIInChI=1S/C3H6/c1-2-3-1/h1-3H2/i1D,2D,3+1D/t1-,2-/m1/s1
InChIKeyLVZWSLJZHVFIQJ-DEXSMXIMSA-N
XLogP1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50046.09
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane?
The IUPAC name of trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane (CID 100919979) is trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane?
The canonical SMILES for trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane is [2H][C@@H]1[C@@H]([2H])[13CH]1[2H].
What is the InChIKey of trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane?
The InChIKey is LVZWSLJZHVFIQJ-DEXSMXIMSA-N. The full InChI is InChI=1S/C3H6/c1-2-3-1/h1-3H2/i1D,2D,3+1D/t1-,2-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane?
trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane has a molecular weight of 46.09 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane is sourced from PubChem (CID 100919979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).