2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one

C11H24N2O4 — CID 22253698

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C5H9NO/c8-4-1-7(2-5-9)3-6-10;1-6-4-2-3-5(6)7/h8-10H,1-6H2;2-4H2,1H3
InChIKeyAFSUIUDHTDTBLP-UHFFFAOYSA-N
MW248.32 g/mol
LogP-1.50
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one

2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one (PubChem CID 22253698) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one
PubChem CID22253698
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C5H9NO/c8-4-1-7(2-5-9)3-6-10;1-6-4-2-3-5(6)7/h8-10H,1-6H2;2-4H2,1H3
InChIKeyAFSUIUDHTDTBLP-UHFFFAOYSA-N
XLogP-1.50
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxyethyl)-2-pyrrolidinone
CID 76980
N-[2-Hydroxyethyl]succinimide
CID 236334
2-Pyrrolidinone, 1-(2-hydroxyethyl)-, potassium salt (1:1)
CID 86278597
1-(2-Hydroxypropyl)pyrrolidin-2-one
CID 21718835
1-[1,2-Dihydroxy-2-(2-oxopyrrolidin-1-yl)ethyl]-2-pyrrolidinone
CID 534360
1-[(1S)-1-(Hydroxymethyl)propyl]-2-pyrrolidinone
CID 11961406
1-(1-Hydroxyethyl)pyrrolidin-2-one
CID 13797250
1-(Hydroxymethyl)-1-methylpyrrolidin-1-ium-2-one
CID 19996295
Succinylmonocholinchlorid
CID 129821806
S-butyrylcholine iodide
CID 140400417
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
n,n,n',n'-Tetrakis(2-hydroxyethyl)butanediamide
CID 233984

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one (CID 22253698) is 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one is CN1CCCC1=O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one?
The InChIKey is AFSUIUDHTDTBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C5H9NO/c8-4-1-7(2-5-9)3-6-10;1-6-4-2-3-5(6)7/h8-10H,1-6H2;2-4H2,1H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one?
2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one has a molecular weight of 248.32 g/mol, XLogP of -1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one is sourced from PubChem (CID 22253698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).