2-deuterio-2-methylpropanamide

C4H9NO — CID 59872545

IUPAC2-deuterio-2-methylpropanamide
SMILES[2H]C(C)(C)C(N)=O
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i3D
InChIKeyWFKAJVHLWXSISD-WFVSFCRTSA-N
MW88.13 g/mol
LogP0.13
Rot. Bonds1

About 2-deuterio-2-methylpropanamide

2-deuterio-2-methylpropanamide (PubChem CID 59872545) has the molecular formula C4H9NO and a molecular weight of 88.13 g/mol. Its IUPAC name is 2-deuterio-2-methylpropanamide.

Molecular Properties

Compound Name2-deuterio-2-methylpropanamide
PubChem CID59872545
Molecular FormulaC4H9NO
Molecular Weight88.13 g/mol
Exact Mass88.07
IUPAC Name2-deuterio-2-methylpropanamide
SMILES[2H]C(C)(C)C(N)=O
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i3D
InChIKeyWFKAJVHLWXSISD-WFVSFCRTSA-N
XLogP0.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-methylpropanamide?
The IUPAC name of 2-deuterio-2-methylpropanamide (CID 59872545) is 2-deuterio-2-methylpropanamide.
What is the SMILES notation for 2-deuterio-2-methylpropanamide?
The canonical SMILES for 2-deuterio-2-methylpropanamide is [2H]C(C)(C)C(N)=O.
What is the InChIKey of 2-deuterio-2-methylpropanamide?
The InChIKey is WFKAJVHLWXSISD-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i3D.
What are the key properties of 2-deuterio-2-methylpropanamide?
2-deuterio-2-methylpropanamide has a molecular weight of 88.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-methylpropanamide is sourced from PubChem (CID 59872545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).