1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone

C8H15NO2 — CID 130768808

IUPAC1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)C(CO)C1
InChIInChI=1S/C8H15NO2/c1-6-3-9(7(2)11)4-8(6)5-10/h6,8,10H,3-5H2,1-2H3
InChIKeyALHCYLAMRJRJNX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.09
Rot. Bonds1

About 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone

1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 130768808) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
PubChem CID130768808
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)C(CO)C1
InChIInChI=1S/C8H15NO2/c1-6-3-9(7(2)11)4-8(6)5-10/h6,8,10H,3-5H2,1-2H3
InChIKeyALHCYLAMRJRJNX-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 129497533
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
azetidin-3-yl-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202562
[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129499446
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
CID 156736539
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-[4-(hydroxymethyl)-3-sulfanylpiperidin-1-yl]ethanone
CID 131008445
1-[3-amino-4-(bromomethyl)pyrrolidin-1-yl]ethanone
CID 130952262
(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
CID 95049046
[1-(4-chlorophenyl)cyclopropyl]-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 126814038

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone (CID 130768808) is 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone is CC(=O)N1CC(C)C(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is ALHCYLAMRJRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-9(7(2)11)4-8(6)5-10/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone?
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 130768808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).