4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one

C11H19NO4 — CID 104766136

IUPAC4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
SMILESCOC1(CN2CC(CO)CC2=O)CCOC1
InChIInChI=1S/C11H19NO4/c1-15-11(2-3-16-8-11)7-12-5-9(6-13)4-10(12)14/h9,13H,2-8H2,1H3
InChIKeySJVOANCWYWJQGS-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.37
Rot. Bonds4

About 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one (PubChem CID 104766136) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
PubChem CID104766136
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
SMILESCOC1(CN2CC(CO)CC2=O)CCOC1
InChIInChI=1S/C11H19NO4/c1-15-11(2-3-16-8-11)7-12-5-9(6-13)4-10(12)14/h9,13H,2-8H2,1H3
InChIKeySJVOANCWYWJQGS-UHFFFAOYSA-N
XLogP-0.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766126
1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662216
3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
CID 104766156
1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 104765879
1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 104766153
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
CID 113451101
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168659236
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one (CID 104766136) is 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one is COC1(CN2CC(CO)CC2=O)CCOC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is SJVOANCWYWJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-15-11(2-3-16-8-11)7-12-5-9(6-13)4-10(12)14/h9,13H,2-8H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104766136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).