1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione

C16H10N4O4 — CID 101057085

IUPAC1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H10N4O4/c21-15-9-10-16(22)19(15)13-5-1-11(2-6-13)17-18-12-3-7-14(8-4-12)20(23)24/h1-10H/b18-17+
InChIKeyLRORBHWDZCMAPH-ISLYRVAYSA-N
MW322.28 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione

1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione (PubChem CID 101057085) has the molecular formula C16H10N4O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
PubChem CID101057085
Molecular FormulaC16H10N4O4
Molecular Weight322.28 g/mol
Exact Mass322.07
IUPAC Name1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H10N4O4/c21-15-9-10-16(22)19(15)13-5-1-11(2-6-13)17-18-12-3-7-14(8-4-12)20(23)24/h1-10H/b18-17+
InChIKeyLRORBHWDZCMAPH-ISLYRVAYSA-N
XLogP3.44
TPSA105.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
CID 160650596
(4-nitrophenyl)-phenyldiazene
CID 17222
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 19294222
methyl-(4-nitrophenyl)diazene
CID 20760343
3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 7109767
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
CID 535986
1-[4-(2,5-dioxopyrrol-1-yl)-3-nitrophenyl]pyrrole-2,5-dione
CID 70397403
1-nitro-4-nitrosobenzene
CID 643547
4-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
CID 3109451
2-(2,4-dinitrophenyl)ethanol;1-(4-hydroxyphenyl)pyrrole-2,5-dione
CID 159395188

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione (CID 101057085) is 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione?
The InChIKey is LRORBHWDZCMAPH-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H10N4O4/c21-15-9-10-16(22)19(15)13-5-1-11(2-6-13)17-18-12-3-7-14(8-4-12)20(23)24/h1-10H/b18-17+.
What are the key properties of 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione?
1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione has a molecular weight of 322.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 101057085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).