5-deuterioadamantan-2-one

C10H14O — CID 100924091

IUPAC5-deuterioadamantan-2-one
SMILES[2H]C12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/i6D
InChIKeyIYKFYARMMIESOX-RAMDWTOOSA-N
MW151.23 g/mol
LogP2.01
Rot. Bonds

About 5-deuterioadamantan-2-one

5-deuterioadamantan-2-one (PubChem CID 100924091) has the molecular formula C10H14O and a molecular weight of 151.23 g/mol. Its IUPAC name is 5-deuterioadamantan-2-one.

Molecular Properties

Compound Name5-deuterioadamantan-2-one
PubChem CID100924091
Molecular FormulaC10H14O
Molecular Weight151.23 g/mol
Exact Mass151.11
IUPAC Name5-deuterioadamantan-2-one
SMILES[2H]C12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/i6D
InChIKeyIYKFYARMMIESOX-RAMDWTOOSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-deuterioadamantan-2-one?
The IUPAC name of 5-deuterioadamantan-2-one (CID 100924091) is 5-deuterioadamantan-2-one.
What is the SMILES notation for 5-deuterioadamantan-2-one?
The canonical SMILES for 5-deuterioadamantan-2-one is [2H]C12CC3CC(C1)C(=O)C(C3)C2.
What is the InChIKey of 5-deuterioadamantan-2-one?
The InChIKey is IYKFYARMMIESOX-RAMDWTOOSA-N. The full InChI is InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/i6D.
What are the key properties of 5-deuterioadamantan-2-one?
5-deuterioadamantan-2-one has a molecular weight of 151.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterioadamantan-2-one is sourced from PubChem (CID 100924091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).