1-(trideuteriomethyl)pyrrolidin-3-one

C5H9NO — CID 164745373

IUPAC1-(trideuteriomethyl)pyrrolidin-3-one
SMILES[2H]C([2H])([2H])N1CCC(=O)C1
InChIInChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3/i1D3
InChIKeySLPUTJFVMJPMKV-FIBGUPNXSA-N
MW102.15 g/mol
LogP-0.11
Rot. Bonds1

About 1-(trideuteriomethyl)pyrrolidin-3-one

1-(trideuteriomethyl)pyrrolidin-3-one (PubChem CID 164745373) has the molecular formula C5H9NO and a molecular weight of 102.15 g/mol. Its IUPAC name is 1-(trideuteriomethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(trideuteriomethyl)pyrrolidin-3-one
PubChem CID164745373
Molecular FormulaC5H9NO
Molecular Weight102.15 g/mol
Exact Mass102.09
IUPAC Name1-(trideuteriomethyl)pyrrolidin-3-one
SMILES[2H]C([2H])([2H])N1CCC(=O)C1
InChIInChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3/i1D3
InChIKeySLPUTJFVMJPMKV-FIBGUPNXSA-N
XLogP-0.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)pyrrolidin-3-one?
The IUPAC name of 1-(trideuteriomethyl)pyrrolidin-3-one (CID 164745373) is 1-(trideuteriomethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(trideuteriomethyl)pyrrolidin-3-one?
The canonical SMILES for 1-(trideuteriomethyl)pyrrolidin-3-one is [2H]C([2H])([2H])N1CCC(=O)C1.
What is the InChIKey of 1-(trideuteriomethyl)pyrrolidin-3-one?
The InChIKey is SLPUTJFVMJPMKV-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3/i1D3.
What are the key properties of 1-(trideuteriomethyl)pyrrolidin-3-one?
1-(trideuteriomethyl)pyrrolidin-3-one has a molecular weight of 102.15 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)pyrrolidin-3-one is sourced from PubChem (CID 164745373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).