[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone

C11H19NO3 — CID 102737927

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CCN(C(=O)C2CCCO2)C1CO
InChIInChI=1S/C11H19NO3/c1-8-4-5-12(9(8)7-13)11(14)10-3-2-6-15-10/h8-10,13H,2-7H2,1H3
InChIKeyYRRVSAYBYWNKNX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.39
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 102737927) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID102737927
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CCN(C(=O)C2CCCO2)C1CO
InChIInChI=1S/C11H19NO3/c1-8-4-5-12(9(8)7-13)11(14)10-3-2-6-15-10/h8-10,13H,2-7H2,1H3
InChIKeyYRRVSAYBYWNKNX-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 130834478
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780572
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 102738003
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone (CID 102737927) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone is CC1CCN(C(=O)C2CCCO2)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YRRVSAYBYWNKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-5-12(9(8)7-13)11(14)10-3-2-6-15-10/h8-10,13H,2-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 102737927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).