1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione

C11H16N2O3 — CID 114400408

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
SMILESCCN1CCOC(CN2C(=O)C=CC2=O)C1
InChIInChI=1S/C11H16N2O3/c1-2-12-5-6-16-9(7-12)8-13-10(14)3-4-11(13)15/h3-4,9H,2,5-8H2,1H3
InChIKeyLAVKNENEOBABMN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.37
Rot. Bonds3

About 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione

1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione (PubChem CID 114400408) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
PubChem CID114400408
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
SMILESCCN1CCOC(CN2C(=O)C=CC2=O)C1
InChIInChI=1S/C11H16N2O3/c1-2-12-5-6-16-9(7-12)8-13-10(14)3-4-11(13)15/h3-4,9H,2,5-8H2,1H3
InChIKeyLAVKNENEOBABMN-UHFFFAOYSA-N
XLogP-0.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175334
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
4-amino-1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 114401064
4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114386480
4-ethyl-2-propylmorpholine
CID 127673597
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
CID 79182621
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218116
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione (CID 114400408) is 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione is CCN1CCOC(CN2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
The InChIKey is LAVKNENEOBABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-12-5-6-16-9(7-12)8-13-10(14)3-4-11(13)15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 114400408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).