1-(2-nitrobenzoyl)indole-2,3-dione

C15H8N2O5 — CID 10017434

IUPAC1-(2-nitrobenzoyl)indole-2,3-dione
SMILESO=C1C(=O)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H8N2O5/c18-13-9-5-1-3-7-11(9)16(15(13)20)14(19)10-6-2-4-8-12(10)17(21)22/h1-8H
InChIKeyJYRKBDPMVUMHSD-UHFFFAOYSA-N
MW296.24 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-nitrobenzoyl)indole-2,3-dione

1-(2-nitrobenzoyl)indole-2,3-dione (PubChem CID 10017434) has the molecular formula C15H8N2O5 and a molecular weight of 296.24 g/mol. Its IUPAC name is 1-(2-nitrobenzoyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2-nitrobenzoyl)indole-2,3-dione
PubChem CID10017434
Molecular FormulaC15H8N2O5
Molecular Weight296.24 g/mol
Exact Mass296.04
IUPAC Name1-(2-nitrobenzoyl)indole-2,3-dione
SMILESO=C1C(=O)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H8N2O5/c18-13-9-5-1-3-7-11(9)16(15(13)20)14(19)10-6-2-4-8-12(10)17(21)22/h1-8H
InChIKeyJYRKBDPMVUMHSD-UHFFFAOYSA-N
XLogP1.96
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_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-(2-nitrobenzoyl)piperidine-2,6-dione
CID 11108124
(1,3-dioxoisoindol-2-yl) 2-nitrobenzoate
CID 1377155
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
(2-nitrophenyl)-oxomethanesulfonic acid
CID 150696280
(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
CID 86623508
1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
(2-nitrophenyl)-oxomethanesulfonyl chloride
CID 118454994
N-(2,3-dioxoindole-1-carbothioyl)-4-nitrobenzamide
CID 155490515
benzene;2-nitrobenzoic acid
CID 19891435
(3,4-dihydroxypyrrolidin-1-yl)-(2-nitrophenyl)methanone
CID 106671114
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
2-methyl-5-(2-nitrobenzoyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 139224774

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrobenzoyl)indole-2,3-dione?
The IUPAC name of 1-(2-nitrobenzoyl)indole-2,3-dione (CID 10017434) is 1-(2-nitrobenzoyl)indole-2,3-dione.
What is the SMILES notation for 1-(2-nitrobenzoyl)indole-2,3-dione?
The canonical SMILES for 1-(2-nitrobenzoyl)indole-2,3-dione is O=C1C(=O)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 1-(2-nitrobenzoyl)indole-2,3-dione?
The InChIKey is JYRKBDPMVUMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O5/c18-13-9-5-1-3-7-11(9)16(15(13)20)14(19)10-6-2-4-8-12(10)17(21)22/h1-8H.
What are the key properties of 1-(2-nitrobenzoyl)indole-2,3-dione?
1-(2-nitrobenzoyl)indole-2,3-dione has a molecular weight of 296.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrobenzoyl)indole-2,3-dione is sourced from PubChem (CID 10017434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).