4-(hydroxymethyl)-4-methylpyrrolidin-2-one

C6H11NO2 — CID 75476846

IUPAC4-(hydroxymethyl)-4-methylpyrrolidin-2-one
SMILESCC1(CO)CNC(=O)C1
InChIInChI=1S/C6H11NO2/c1-6(4-8)2-5(9)7-3-6/h8H,2-4H2,1H3,(H,7,9)
InChIKeyQGIFFTTTXRPFEN-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About 4-(hydroxymethyl)-4-methylpyrrolidin-2-one

4-(hydroxymethyl)-4-methylpyrrolidin-2-one (PubChem CID 75476846) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methylpyrrolidin-2-one
PubChem CID75476846
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-(hydroxymethyl)-4-methylpyrrolidin-2-one
SMILESCC1(CO)CNC(=O)C1
InChIInChI=1S/C6H11NO2/c1-6(4-8)2-5(9)7-3-6/h8H,2-4H2,1H3,(H,7,9)
InChIKeyQGIFFTTTXRPFEN-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-4-methylpyrrolidin-2-one (CID 75476846) is 4-(hydroxymethyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-4-methylpyrrolidin-2-one is CC1(CO)CNC(=O)C1.
What is the InChIKey of 4-(hydroxymethyl)-4-methylpyrrolidin-2-one?
The InChIKey is QGIFFTTTXRPFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(4-8)2-5(9)7-3-6/h8H,2-4H2,1H3,(H,7,9).
What are the key properties of 4-(hydroxymethyl)-4-methylpyrrolidin-2-one?
4-(hydroxymethyl)-4-methylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 75476846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).