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

C6H11NO2 — CID 566563

IUPAC5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CO
InChIInChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3
InChIKeyOHTBSHGXEXCIOI-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds1

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

5-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 566563) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID566563
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CO
InChIInChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3
InChIKeyOHTBSHGXEXCIOI-UHFFFAOYSA-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 5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 566563) is 5-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CCC1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is OHTBSHGXEXCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
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 5-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 566563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).