3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione

C9H16N2O3 — CID 107358231

IUPAC3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCN(CCO)C1CC(=O)N(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-11(4-5-12)7-6-8(13)10(2)9(7)14/h7,12H,3-6H2,1-2H3
InChIKeyWWDHLZWXZMOJRS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.94
Rot. Bonds4

About 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione

3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 107358231) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID107358231
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCN(CCO)C1CC(=O)N(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-11(4-5-12)7-6-8(13)10(2)9(7)14/h7,12H,3-6H2,1-2H3
InChIKeyWWDHLZWXZMOJRS-UHFFFAOYSA-N
XLogP-0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea
CID 100744528
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)-prop-2-ynylamino]acetic acid
CID 79283874
3-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)-propylamino]methyl]benzoic acid
CID 122033997
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione
CID 107358074
3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
CID 62021591
(2S)-2-methyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-methylsulfanyl-N-propylpropanamide
CID 124732259
1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
CID 166289563
1-[4-[ethyl(2-hydroxyethyl)amino]piperidin-1-yl]ethanone
CID 66565461
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
CID 61011616
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrrolidin-2-one
CID 107485443
3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 107358045
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione (CID 107358231) is 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione is CCN(CCO)C1CC(=O)N(C)C1=O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is WWDHLZWXZMOJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-11(4-5-12)7-6-8(13)10(2)9(7)14/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione?
3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).