3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one

C12H23N3O2 — CID 106617859

IUPAC3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N(CCO)CC2CCCN2)C1=O
InChIInChI=1S/C12H23N3O2/c1-14-6-4-11(12(14)17)15(7-8-16)9-10-3-2-5-13-10/h10-11,13,16H,2-9H2,1H3
InChIKeyOEXJUIQSDXFKOX-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.74
Rot. Bonds5

About 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one

3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106617859) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one
PubChem CID106617859
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N(CCO)CC2CCCN2)C1=O
InChIInChI=1S/C12H23N3O2/c1-14-6-4-11(12(14)17)15(7-8-16)9-10-3-2-5-13-10/h10-11,13,16H,2-9H2,1H3
InChIKeyOEXJUIQSDXFKOX-UHFFFAOYSA-N
XLogP-0.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606838
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrrolidin-2-one
CID 107485443
2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607106
2-[(2,6-dimethylcyclohexyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606785
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606511
1-methyl-3-(pyrrolidin-2-ylmethyl)pyrrolidin-2-one
CID 142209775
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106618012
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234833
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one (CID 106617859) is 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one is CN1CCC(N(CCO)CC2CCCN2)C1=O.
What is the InChIKey of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is OEXJUIQSDXFKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14-6-4-11(12(14)17)15(7-8-16)9-10-3-2-5-13-10/h10-11,13,16H,2-9H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one?
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106617859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).