(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one

C6H11NO2 — CID 14876039

IUPAC(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1CO
InChIInChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyOHTBSHGXEXCIOI-YFKPBYRVSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds1

About (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one

(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 14876039) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID14876039
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1CO
InChIInChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyOHTBSHGXEXCIOI-YFKPBYRVSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 14876039) is (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC[C@H]1CO.
What is the InChIKey of (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is OHTBSHGXEXCIOI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 14876039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).