5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one

C11H20N2O3 — CID 107529723

IUPAC5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCC2(O)CCOCC2)N1
InChIInChI=1S/C11H20N2O3/c14-10-2-1-9(13-10)7-12-8-11(15)3-5-16-6-4-11/h9,12,15H,1-8H2,(H,13,14)
InChIKeyXSZPGLCMKIOEDO-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.60
Rot. Bonds4

About 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one

5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 107529723) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
PubChem CID107529723
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCC2(O)CCOCC2)N1
InChIInChI=1S/C11H20N2O3/c14-10-2-1-9(13-10)7-12-8-11(15)3-5-16-6-4-11/h9,12,15H,1-8H2,(H,13,14)
InChIKeyXSZPGLCMKIOEDO-UHFFFAOYSA-N
XLogP-0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499501
5-[[(2-methyloxolan-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529690
4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440569
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
4-[(4-hydroxyoxan-4-yl)methylamino]azepan-2-one
CID 81130451
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
5-[[(1-methylcyclobutyl)amino]methyl]pyrrolidin-2-one
CID 107530010
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 103902361
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one (CID 107529723) is 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCC2(O)CCOCC2)N1.
What is the InChIKey of 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is XSZPGLCMKIOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-10-2-1-9(13-10)7-12-8-11(15)3-5-16-6-4-11/h9,12,15H,1-8H2,(H,13,14).
What are the key properties of 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one?
5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 228.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).