1-(3-nitrophenothiazin-10-yl)ethanone

C14H10N2O3S — CID 70686559

IUPAC1-(3-nitrophenothiazin-10-yl)ethanone
SMILESCC(=O)N1c2ccccc2Sc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H10N2O3S/c1-9(17)15-11-4-2-3-5-13(11)20-14-8-10(16(18)19)6-7-12(14)15/h2-8H,1H3
InChIKeySRWCFWYMQYEDIP-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.74
Rot. Bonds1

About 1-(3-nitrophenothiazin-10-yl)ethanone

1-(3-nitrophenothiazin-10-yl)ethanone (PubChem CID 70686559) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(3-nitrophenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name1-(3-nitrophenothiazin-10-yl)ethanone
PubChem CID70686559
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name1-(3-nitrophenothiazin-10-yl)ethanone
SMILESCC(=O)N1c2ccccc2Sc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H10N2O3S/c1-9(17)15-11-4-2-3-5-13(11)20-14-8-10(16(18)19)6-7-12(14)15/h2-8H,1H3
InChIKeySRWCFWYMQYEDIP-UHFFFAOYSA-N
XLogP3.74
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
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-(3-nitrophenothiazin-10-yl)ethanone?
The IUPAC name of 1-(3-nitrophenothiazin-10-yl)ethanone (CID 70686559) is 1-(3-nitrophenothiazin-10-yl)ethanone.
What is the SMILES notation for 1-(3-nitrophenothiazin-10-yl)ethanone?
The canonical SMILES for 1-(3-nitrophenothiazin-10-yl)ethanone is CC(=O)N1c2ccccc2Sc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-(3-nitrophenothiazin-10-yl)ethanone?
The InChIKey is SRWCFWYMQYEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-9(17)15-11-4-2-3-5-13(11)20-14-8-10(16(18)19)6-7-12(14)15/h2-8H,1H3.
What are the key properties of 1-(3-nitrophenothiazin-10-yl)ethanone?
1-(3-nitrophenothiazin-10-yl)ethanone has a molecular weight of 286.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenothiazin-10-yl)ethanone is sourced from PubChem (CID 70686559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).