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

C6H11NO2 — CID 535874

IUPAC3-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(CO)C1=O
InChIInChI=1S/C6H11NO2/c1-7-3-2-5(4-8)6(7)9/h5,8H,2-4H2,1H3
InChIKeyDOKXBBFVQUNEMW-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.54
Rot. Bonds1

About 3-(hydroxymethyl)-1-methylpyrrolidin-2-one

3-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 535874) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID535874
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(CO)C1=O
InChIInChI=1S/C6H11NO2/c1-7-3-2-5(4-8)6(7)9/h5,8H,2-4H2,1H3
InChIKeyDOKXBBFVQUNEMW-UHFFFAOYSA-N
XLogP-0.54
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 ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 535874) is 3-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1CCC(CO)C1=O.
What is the InChIKey of 3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is DOKXBBFVQUNEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-3-2-5(4-8)6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
3-(hydroxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 535874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).