3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione

C11H20N2O3 — CID 107703458

IUPAC3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCCCCCO)C1=O
InChIInChI=1S/C11H20N2O3/c1-13-10(15)8-9(11(13)16)12-6-4-2-3-5-7-14/h9,12,14H,2-8H2,1H3
InChIKeyUMGXKTBWDKOJDT-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.11
Rot. Bonds7

About 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione

3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 107703458) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID107703458
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCCCCCO)C1=O
InChIInChI=1S/C11H20N2O3/c1-13-10(15)8-9(11(13)16)12-6-4-2-3-5-7-14/h9,12,14H,2-8H2,1H3
InChIKeyUMGXKTBWDKOJDT-UHFFFAOYSA-N
XLogP-0.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
CID 63967065
N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide
CID 77075586
3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
CID 107851756
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
CID 82942268
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
CID 112589216
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
(3S)-1-(4-bromophenyl)-3-(4-hydroxybutylamino)pyrrolidine-2,5-dione
CID 7298446
1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
CID 166289563
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide
CID 79579380
3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 107358045
3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
CID 107317317

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione (CID 107703458) is 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCCCCCCO)C1=O.
What is the InChIKey of 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is UMGXKTBWDKOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13-10(15)8-9(11(13)16)12-6-4-2-3-5-7-14/h9,12,14H,2-8H2,1H3.
What are the key properties of 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione?
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107703458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).