8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole

C10H8N2O4 — CID 90767360

IUPAC8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole
SMILESO=[N+]([O-])c1ccc2c(c1)C1=C(CON1)CO2
InChIInChI=1S/C10H8N2O4/c13-12(14)7-1-2-9-8(3-7)10-6(4-15-9)5-16-11-10/h1-3,11H,4-5H2
InChIKeyKWLFAVLYSUWEFV-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.23
Rot. Bonds1

About 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole

8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole (PubChem CID 90767360) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole
PubChem CID90767360
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole
SMILESO=[N+]([O-])c1ccc2c(c1)C1=C(CON1)CO2
InChIInChI=1S/C10H8N2O4/c13-12(14)7-1-2-9-8(3-7)10-6(4-15-9)5-16-11-10/h1-3,11H,4-5H2
InChIKeyKWLFAVLYSUWEFV-UHFFFAOYSA-N
XLogP1.23
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole?
The IUPAC name of 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole (CID 90767360) is 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole?
The canonical SMILES for 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole is O=[N+]([O-])c1ccc2c(c1)C1=C(CON1)CO2.
What is the InChIKey of 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole?
The InChIKey is KWLFAVLYSUWEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-12(14)7-1-2-9-8(3-7)10-6(4-15-9)5-16-11-10/h1-3,11H,4-5H2.
What are the key properties of 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole?
8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole has a molecular weight of 220.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 90767360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).