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

C10H17NO4 — CID 104766126

IUPAC4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
SMILESCOC1(CN2CC(O)CC2=O)CCOC1
InChIInChI=1S/C10H17NO4/c1-14-10(2-3-15-7-10)6-11-5-8(12)4-9(11)13/h8,12H,2-7H2,1H3
InChIKeyXLCFSVSFULCMAI-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.61
Rot. Bonds3

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

4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one (PubChem CID 104766126) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
PubChem CID104766126
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
SMILESCOC1(CN2CC(O)CC2=O)CCOC1
InChIInChI=1S/C10H17NO4/c1-14-10(2-3-15-7-10)6-11-5-8(12)4-9(11)13/h8,12H,2-7H2,1H3
InChIKeyXLCFSVSFULCMAI-UHFFFAOYSA-N
XLogP-0.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766136
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
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
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 104767923
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524
1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662216

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one (CID 104766126) is 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one is COC1(CN2CC(O)CC2=O)CCOC1.
What is the InChIKey of 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is XLCFSVSFULCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-10(2-3-15-7-10)6-11-5-8(12)4-9(11)13/h8,12H,2-7H2,1H3.
What are the key properties of 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one?
4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104766126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).