8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione

C16H9N3O5 — CID 15145313

IUPAC8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione
SMILESO=c1oc2cc3cc([N+](=O)[O-])ccc3n2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H9N3O5/c20-15-17(11-4-2-1-3-5-11)16(21)24-14-9-10-8-12(19(22)23)6-7-13(10)18(14)15/h1-9H
InChIKeyFQSZRUGCPKOETP-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.10
Rot. Bonds2

About 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione

8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione (PubChem CID 15145313) has the molecular formula C16H9N3O5 and a molecular weight of 323.26 g/mol. Its IUPAC name is 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione.

Molecular Properties

Compound Name8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione
PubChem CID15145313
Molecular FormulaC16H9N3O5
Molecular Weight323.26 g/mol
Exact Mass323.05
IUPAC Name8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione
SMILESO=c1oc2cc3cc([N+](=O)[O-])ccc3n2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H9N3O5/c20-15-17(11-4-2-1-3-5-11)16(21)24-14-9-10-8-12(19(22)23)6-7-13(10)18(14)15/h1-9H
InChIKeyFQSZRUGCPKOETP-UHFFFAOYSA-N
XLogP2.10
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione?
The IUPAC name of 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione (CID 15145313) is 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione.
What is the SMILES notation for 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione?
The canonical SMILES for 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione is O=c1oc2cc3cc([N+](=O)[O-])ccc3n2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione?
The InChIKey is FQSZRUGCPKOETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O5/c20-15-17(11-4-2-1-3-5-11)16(21)24-14-9-10-8-12(19(22)23)6-7-13(10)18(14)15/h1-9H.
What are the key properties of 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione?
8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione has a molecular weight of 323.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-3-phenyl-[1,3,5]oxadiazino[3,2-a]indole-2,4-dione is sourced from PubChem (CID 15145313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).