1-phenothiazin-10-ylprop-2-en-1-one

C15H11NOS — CID 13012850

IUPAC1-phenothiazin-10-ylprop-2-en-1-one
SMILESC=CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H11NOS/c1-2-15(17)16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h2-10H,1H2
InChIKeyHKPZFOCMKOCBJT-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.00
Rot. Bonds1

About 1-phenothiazin-10-ylprop-2-en-1-one

1-phenothiazin-10-ylprop-2-en-1-one (PubChem CID 13012850) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-phenothiazin-10-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-phenothiazin-10-ylprop-2-en-1-one
PubChem CID13012850
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name1-phenothiazin-10-ylprop-2-en-1-one
SMILESC=CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H11NOS/c1-2-15(17)16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h2-10H,1H2
InChIKeyHKPZFOCMKOCBJT-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-prop-2-enoyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 166631783
3-(2-chlorophenyl)-1-phenothiazin-10-ylprop-2-en-1-one
CID 4292265
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
CID 158923820
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
1-(3-methyl-1,3-benzothiazol-2-ylidene)but-3-en-2-one
CID 4702140
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
phenothiazine-10-carbaldehyde
CID 11138870
3-methyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylbut-2-en-1-one
CID 110179797
2,2,3,3-tetrafluoro-4-oxo-4-phenothiazin-10-ylbutanoate
CID 164746772
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
1-phenothiazin-10-yl-2-pyrrolidin-1-ium-1-ylethanone
CID 6955810
3-phenyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one
CID 2857001

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-ylprop-2-en-1-one?
The IUPAC name of 1-phenothiazin-10-ylprop-2-en-1-one (CID 13012850) is 1-phenothiazin-10-ylprop-2-en-1-one.
What is the SMILES notation for 1-phenothiazin-10-ylprop-2-en-1-one?
The canonical SMILES for 1-phenothiazin-10-ylprop-2-en-1-one is C=CC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-ylprop-2-en-1-one?
The InChIKey is HKPZFOCMKOCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-2-15(17)16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h2-10H,1H2.
What are the key properties of 1-phenothiazin-10-ylprop-2-en-1-one?
1-phenothiazin-10-ylprop-2-en-1-one has a molecular weight of 253.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-ylprop-2-en-1-one is sourced from PubChem (CID 13012850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).