(5S)-3,3,5-trimethylpyrrolidin-2-one

C7H13NO — CID 15638017

IUPAC(5S)-3,3,5-trimethylpyrrolidin-2-one
SMILESC[C@H]1CC(C)(C)C(=O)N1
InChIInChI=1S/C7H13NO/c1-5-4-7(2,3)6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyUIHSTNXWLQMGGF-YFKPBYRVSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds

About (5S)-3,3,5-trimethylpyrrolidin-2-one

(5S)-3,3,5-trimethylpyrrolidin-2-one (PubChem CID 15638017) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5S)-3,3,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,3,5-trimethylpyrrolidin-2-one
PubChem CID15638017
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5S)-3,3,5-trimethylpyrrolidin-2-one
SMILESC[C@H]1CC(C)(C)C(=O)N1
InChIInChI=1S/C7H13NO/c1-5-4-7(2,3)6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyUIHSTNXWLQMGGF-YFKPBYRVSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,3,5-trimethylpyrrolidin-2-one?
The IUPAC name of (5S)-3,3,5-trimethylpyrrolidin-2-one (CID 15638017) is (5S)-3,3,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-3,3,5-trimethylpyrrolidin-2-one?
The canonical SMILES for (5S)-3,3,5-trimethylpyrrolidin-2-one is C[C@H]1CC(C)(C)C(=O)N1.
What is the InChIKey of (5S)-3,3,5-trimethylpyrrolidin-2-one?
The InChIKey is UIHSTNXWLQMGGF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-4-7(2,3)6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (5S)-3,3,5-trimethylpyrrolidin-2-one?
(5S)-3,3,5-trimethylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 15638017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).