3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione

C15H14N2O3 — CID 139710361

IUPAC3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESCONC1CC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H14N2O3/c1-20-16-12-9-14(18)17(15(12)19)13-8-4-6-10-5-2-3-7-11(10)13/h2-8,12,16H,9H2,1H3
InChIKeyJNOBMRDIGMSHQT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.62
Rot. Bonds3

About 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione

3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione (PubChem CID 139710361) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
PubChem CID139710361
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESCONC1CC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H14N2O3/c1-20-16-12-9-14(18)17(15(12)19)13-8-4-6-10-5-2-3-7-11(10)13/h2-8,12,16H,9H2,1H3
InChIKeyJNOBMRDIGMSHQT-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-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

(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 2439910
(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
CID 98463384
6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione
CID 81072141
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 509112
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7439607
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 4874274
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 17078305
(3S)-3-(4,7-dimethylquinazolin-2-yl)sulfanyl-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 1160949
(3aR,5S,6S,7aR)-5,6-dibromo-2-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98172632

Frequently Asked Questions

What is the IUPAC name of 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione (CID 139710361) is 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione is CONC1CC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The InChIKey is JNOBMRDIGMSHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-16-12-9-14(18)17(15(12)19)13-8-4-6-10-5-2-3-7-11(10)13/h2-8,12,16H,9H2,1H3.
What are the key properties of 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione has a molecular weight of 270.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 139710361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).