(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate

C21H19NO3S — CID 9065543

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESO=C(C[C@@H]1C=CCC1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H19NO3S/c23-20(14-25-21(24)13-15-7-1-2-8-15)22-16-9-3-5-11-18(16)26-19-12-6-4-10-17(19)22/h1,3-7,9-12,15H,2,8,13-14H2/t15-/m1/s1
InChIKeyLJYHZGGJKGOQHB-OAHLLOKOSA-N
MW365.45 g/mol
LogP4.72
Rot. Bonds4

About (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate

(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate (PubChem CID 9065543) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate
PubChem CID9065543
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESO=C(C[C@@H]1C=CCC1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H19NO3S/c23-20(14-25-21(24)13-15-7-1-2-8-15)22-16-9-3-5-11-18(16)26-19-12-6-4-10-17(19)22/h1,3-7,9-12,15H,2,8,13-14H2/t15-/m1/s1
InChIKeyLJYHZGGJKGOQHB-OAHLLOKOSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate (CID 9065543) is (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate is O=C(C[C@@H]1C=CCC1)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The InChIKey is LJYHZGGJKGOQHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-20(14-25-21(24)13-15-7-1-2-8-15)22-16-9-3-5-11-18(16)26-19-12-6-4-10-17(19)22/h1,3-7,9-12,15H,2,8,13-14H2/t15-/m1/s1.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate has a molecular weight of 365.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9065543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).