10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one

C15H15NO2S — CID 177423409

IUPAC10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one
SMILESC=CC(=O)N1c2ccccc2SC2CCCC(=O)C21
InChIInChI=1S/C15H15NO2S/c1-2-14(18)16-10-6-3-4-8-12(10)19-13-9-5-7-11(17)15(13)16/h2-4,6,8,13,15H,1,5,7,9H2
InChIKeyWCQJQHXYFZXWAS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.80
Rot. Bonds1

About 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one

10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one (PubChem CID 177423409) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one.

Molecular Properties

Compound Name10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one
PubChem CID177423409
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one
SMILESC=CC(=O)N1c2ccccc2SC2CCCC(=O)C21
InChIInChI=1S/C15H15NO2S/c1-2-14(18)16-10-6-3-4-8-12(10)19-13-9-5-7-11(17)15(13)16/h2-4,6,8,13,15H,1,5,7,9H2
InChIKeyWCQJQHXYFZXWAS-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one?
The IUPAC name of 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one (CID 177423409) is 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one.
What is the SMILES notation for 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one?
The canonical SMILES for 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one is C=CC(=O)N1c2ccccc2SC2CCCC(=O)C21.
What is the InChIKey of 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one?
The InChIKey is WCQJQHXYFZXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-2-14(18)16-10-6-3-4-8-12(10)19-13-9-5-7-11(17)15(13)16/h2-4,6,8,13,15H,1,5,7,9H2.
What are the key properties of 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one?
10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one has a molecular weight of 273.36 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-prop-2-enoyl-3,4,4a,10a-tetrahydro-2H-phenothiazin-1-one is sourced from PubChem (CID 177423409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).