1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione

C15H16N2O3 — CID 174820044

IUPAC1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(c1ccccc1)C1CNCCO1
InChIInChI=1S/C15H16N2O3/c18-13-6-7-14(19)17(13)15(11-4-2-1-3-5-11)12-10-16-8-9-20-12/h1-7,12,15-16H,8-10H2
InChIKeyNNGTXNXSKYRRDA-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.64
Rot. Bonds3

About 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione

1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione (PubChem CID 174820044) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione
PubChem CID174820044
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(c1ccccc1)C1CNCCO1
InChIInChI=1S/C15H16N2O3/c18-13-6-7-14(19)17(13)15(11-4-2-1-3-5-11)12-10-16-8-9-20-12/h1-7,12,15-16H,8-10H2
InChIKeyNNGTXNXSKYRRDA-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[morpholin-2-yl(phenyl)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

(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine
CID 141401677
2-(1-phenylpropyl)morpholine
CID 70531832
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
(2R)-2-[(2-ethylphenyl)sulfanyl-phenylmethyl]morpholine
CID 69432021
3-[hydroxy(morpholin-2-yl)methyl]phenol
CID 84676784
2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid
CID 67598260
2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol
CID 91057682
2-[(4-methylphenoxy)-phenylmethyl]morpholine
CID 3029454
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
CID 68538619

Frequently Asked Questions

What is the IUPAC name of 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione (CID 174820044) is 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(c1ccccc1)C1CNCCO1.
What is the InChIKey of 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione?
The InChIKey is NNGTXNXSKYRRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-6-7-14(19)17(13)15(11-4-2-1-3-5-11)12-10-16-8-9-20-12/h1-7,12,15-16H,8-10H2.
What are the key properties of 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione?
1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 174820044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).