1,2-diethyl-7-nitro-10H-phenoxazine

C16H16N2O3 — CID 175101316

IUPAC1,2-diethyl-7-nitro-10H-phenoxazine
SMILESCCc1ccc2c(c1CC)Nc1ccc([N+](=O)[O-])cc1O2
InChIInChI=1S/C16H16N2O3/c1-3-10-5-8-14-16(12(10)4-2)17-13-7-6-11(18(19)20)9-15(13)21-14/h5-9,17H,3-4H2,1-2H3
InChIKeyUWWQVLYNOQQTBF-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.57
Rot. Bonds3

About 1,2-diethyl-7-nitro-10H-phenoxazine

1,2-diethyl-7-nitro-10H-phenoxazine (PubChem CID 175101316) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1,2-diethyl-7-nitro-10H-phenoxazine.

Molecular Properties

Compound Name1,2-diethyl-7-nitro-10H-phenoxazine
PubChem CID175101316
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1,2-diethyl-7-nitro-10H-phenoxazine
SMILESCCc1ccc2c(c1CC)Nc1ccc([N+](=O)[O-])cc1O2
InChIInChI=1S/C16H16N2O3/c1-3-10-5-8-14-16(12(10)4-2)17-13-7-6-11(18(19)20)9-15(13)21-14/h5-9,17H,3-4H2,1-2H3
InChIKeyUWWQVLYNOQQTBF-UHFFFAOYSA-N
XLogP4.57
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-7-nitro-10H-phenoxazine?
The IUPAC name of 1,2-diethyl-7-nitro-10H-phenoxazine (CID 175101316) is 1,2-diethyl-7-nitro-10H-phenoxazine.
What is the SMILES notation for 1,2-diethyl-7-nitro-10H-phenoxazine?
The canonical SMILES for 1,2-diethyl-7-nitro-10H-phenoxazine is CCc1ccc2c(c1CC)Nc1ccc([N+](=O)[O-])cc1O2.
What is the InChIKey of 1,2-diethyl-7-nitro-10H-phenoxazine?
The InChIKey is UWWQVLYNOQQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-10-5-8-14-16(12(10)4-2)17-13-7-6-11(18(19)20)9-15(13)21-14/h5-9,17H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-7-nitro-10H-phenoxazine?
1,2-diethyl-7-nitro-10H-phenoxazine has a molecular weight of 284.31 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-7-nitro-10H-phenoxazine is sourced from PubChem (CID 175101316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).