7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one

C14H10N2O4 — CID 1475156

IUPAC7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
SMILESO=C1Nc2ccccc2OCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C14H10N2O4/c17-14-9-4-3-6-12(16(18)19)10(9)8-20-13-7-2-1-5-11(13)15-14/h1-7H,8H2,(H,15,17)
InChIKeyCXOGSWRXPJHJQW-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.74
Rot. Bonds1

About 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one

7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one (PubChem CID 1475156) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one.

Molecular Properties

Compound Name7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
PubChem CID1475156
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
SMILESO=C1Nc2ccccc2OCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C14H10N2O4/c17-14-9-4-3-6-12(16(18)19)10(9)8-20-13-7-2-1-5-11(13)15-14/h1-7H,8H2,(H,15,17)
InChIKeyCXOGSWRXPJHJQW-UHFFFAOYSA-N
XLogP2.74
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
The IUPAC name of 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one (CID 1475156) is 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one.
What is the SMILES notation for 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
The canonical SMILES for 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one is O=C1Nc2ccccc2OCc2c1cccc2[N+](=O)[O-].
What is the InChIKey of 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
The InChIKey is CXOGSWRXPJHJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-14-9-4-3-6-12(16(18)19)10(9)8-20-13-7-2-1-5-11(13)15-14/h1-7H,8H2,(H,15,17).
What are the key properties of 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one has a molecular weight of 270.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one is sourced from PubChem (CID 1475156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).