(5S)-1,5-dimethylpyrrolidin-2-one

C6H11NO — CID 5325747

IUPAC(5S)-1,5-dimethylpyrrolidin-2-one
SMILESC[C@H]1CCC(=O)N1C
InChIInChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyFILVIKOEJGORQS-YFKPBYRVSA-N
MW113.16 g/mol
LogP0.63
Rot. Bonds

About (5S)-1,5-dimethylpyrrolidin-2-one

(5S)-1,5-dimethylpyrrolidin-2-one (PubChem CID 5325747) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (5S)-1,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1,5-dimethylpyrrolidin-2-one
PubChem CID5325747
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(5S)-1,5-dimethylpyrrolidin-2-one
SMILESC[C@H]1CCC(=O)N1C
InChIInChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyFILVIKOEJGORQS-YFKPBYRVSA-N
XLogP0.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dimethylpyrrolidin-2-one?
The IUPAC name of (5S)-1,5-dimethylpyrrolidin-2-one (CID 5325747) is (5S)-1,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (5S)-1,5-dimethylpyrrolidin-2-one is C[C@H]1CCC(=O)N1C.
What is the InChIKey of (5S)-1,5-dimethylpyrrolidin-2-one?
The InChIKey is FILVIKOEJGORQS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (5S)-1,5-dimethylpyrrolidin-2-one?
(5S)-1,5-dimethylpyrrolidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 5325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).