1-(2,6-diaminophenyl)pyrrole-2,5-dione

C10H9N3O2 — CID 176820396

IUPAC1-(2,6-diaminophenyl)pyrrole-2,5-dione
SMILESNc1cccc(N)c1N1C(=O)C=CC1=O
InChIInChI=1S/C10H9N3O2/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(13)15/h1-5H,11-12H2
InChIKeyRRNLPCONYPZPHI-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.28
Rot. Bonds1

About 1-(2,6-diaminophenyl)pyrrole-2,5-dione

1-(2,6-diaminophenyl)pyrrole-2,5-dione (PubChem CID 176820396) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(2,6-diaminophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,6-diaminophenyl)pyrrole-2,5-dione
PubChem CID176820396
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(2,6-diaminophenyl)pyrrole-2,5-dione
SMILESNc1cccc(N)c1N1C(=O)C=CC1=O
InChIInChI=1S/C10H9N3O2/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(13)15/h1-5H,11-12H2
InChIKeyRRNLPCONYPZPHI-UHFFFAOYSA-N
XLogP0.28
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
CID 107600944
1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione
CID 57001906
1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione
CID 71399110
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione
CID 132527591
1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 141169954
1-(2-amino-6-fluorophenyl)azepan-2-one
CID 81310287
1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
CID 166071078
2-(2,5-dioxopyrrol-1-yl)-6-methylbenzonitrile
CID 107799310
1-[3-[3-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
CID 90281887
1-[3-[3-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 69052186

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diaminophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,6-diaminophenyl)pyrrole-2,5-dione (CID 176820396) is 1-(2,6-diaminophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,6-diaminophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,6-diaminophenyl)pyrrole-2,5-dione is Nc1cccc(N)c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2,6-diaminophenyl)pyrrole-2,5-dione?
The InChIKey is RRNLPCONYPZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(13)15/h1-5H,11-12H2.
What are the key properties of 1-(2,6-diaminophenyl)pyrrole-2,5-dione?
1-(2,6-diaminophenyl)pyrrole-2,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diaminophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 176820396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).