1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione

C13H13N3O2 — CID 144524378

IUPAC1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione
SMILES[H]/N=C(\CN1C(=O)C=CC1=O)c1ccccc1NC
InChIInChI=1S/C13H13N3O2/c1-15-11-5-3-2-4-9(11)10(14)8-16-12(17)6-7-13(16)18/h2-7,14-15H,8H2,1H3/b14-10+
InChIKeyFYZOHZDWHRFXIA-GXDHUFHOSA-N
MW243.27 g/mol
LogP1.02
Rot. Bonds4

About 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione

1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione (PubChem CID 144524378) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione
PubChem CID144524378
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione
SMILES[H]/N=C(\CN1C(=O)C=CC1=O)c1ccccc1NC
InChIInChI=1S/C13H13N3O2/c1-15-11-5-3-2-4-9(11)10(14)8-16-12(17)6-7-13(16)18/h2-7,14-15H,8H2,1H3/b14-10+
InChIKeyFYZOHZDWHRFXIA-GXDHUFHOSA-N
XLogP1.02
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methylamino)benzenecarboximidoyl]isoindole-1,3-dione
CID 143227901
2-(methylamino)benzenecarboximidoyl fluoride
CID 138666173
1-[2-(methylamino)phenyl]butane-1,3-dione
CID 23343456
2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259
(1,3-dioxoisoindol-2-yl)methyl 2-(methylamino)benzoate
CID 16596143
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
methyl 4-(methylamino)-3-propanimidoylbenzoate
CID 123868195
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 144645655
2-(1-chloroethenyl)-N-methylaniline
CID 123755140
1-[2-(methylamino)phenyl]ethenethiol
CID 142076498
phosphanyl 2-(methylamino)benzoate
CID 174258583

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione (CID 144524378) is 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione is [H]/N=C(\CN1C(=O)C=CC1=O)c1ccccc1NC.
What is the InChIKey of 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione?
The InChIKey is FYZOHZDWHRFXIA-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-15-11-5-3-2-4-9(11)10(14)8-16-12(17)6-7-13(16)18/h2-7,14-15H,8H2,1H3/b14-10+.
What are the key properties of 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione?
1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione has a molecular weight of 243.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-2-[2-(methylamino)phenyl]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 144524378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).