1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one

C13H24N2O3 — CID 168662216

IUPAC1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCN(C)C1(CN2CC(CO)CC2=O)CCOCC1
InChIInChI=1S/C13H24N2O3/c1-14(2)13(3-5-18-6-4-13)10-15-8-11(9-16)7-12(15)17/h11,16H,3-10H2,1-2H3
InChIKeyHNKJBFYZUPRAGX-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.06
Rot. Bonds4

About 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662216) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662216
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCN(C)C1(CN2CC(CO)CC2=O)CCOCC1
InChIInChI=1S/C13H24N2O3/c1-14(2)13(3-5-18-6-4-13)10-15-8-11(9-16)7-12(15)17/h11,16H,3-10H2,1-2H3
InChIKeyHNKJBFYZUPRAGX-UHFFFAOYSA-N
XLogP-0.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.06
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
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 103465010
1-[[4-(bromomethyl)oxan-4-yl]methyl]-4-tert-butylpyrrolidin-2-one
CID 104511321
4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766126
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
[1-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 83115466
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168659236
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663160
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662216) is 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one is CN(C)C1(CN2CC(CO)CC2=O)CCOCC1.
What is the InChIKey of 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HNKJBFYZUPRAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14(2)13(3-5-18-6-4-13)10-15-8-11(9-16)7-12(15)17/h11,16H,3-10H2,1-2H3.
What are the key properties of 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 256.35 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).