1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone

C8H15NO2 — CID 23599166

IUPAC1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)CC1CO
InChIInChI=1S/C8H15NO2/c1-6-3-8(5-10)9(4-6)7(2)11/h6,8,10H,3-5H2,1-2H3
InChIKeyJXLFLAAWFMSBNH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.24
Rot. Bonds1

About 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone

1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 23599166) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
PubChem CID23599166
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)CC1CO
InChIInChI=1S/C8H15NO2/c1-6-3-8(5-10)9(4-6)7(2)11/h6,8,10H,3-5H2,1-2H3
InChIKeyJXLFLAAWFMSBNH-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone (CID 23599166) is 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone is CC(=O)N1CC(C)CC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is JXLFLAAWFMSBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-8(5-10)9(4-6)7(2)11/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23599166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).