(E)-1-phenothiazin-10-yldec-3-en-1-one

C22H25NOS — CID 71767310

IUPAC(E)-1-phenothiazin-10-yldec-3-en-1-one
SMILESCCCCCC/C=C/CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H25NOS/c1-2-3-4-5-6-7-8-17-22(24)23-18-13-9-11-15-20(18)25-21-16-12-10-14-19(21)23/h7-16H,2-6,17H2,1H3/b8-7+
InChIKeyONVSVCFQGUFJBE-BQYQJAHWSA-N
MW351.51 g/mol
LogP6.73
Rot. Bonds7

About (E)-1-phenothiazin-10-yldec-3-en-1-one

(E)-1-phenothiazin-10-yldec-3-en-1-one (PubChem CID 71767310) has the molecular formula C22H25NOS and a molecular weight of 351.51 g/mol. Its IUPAC name is (E)-1-phenothiazin-10-yldec-3-en-1-one.

Molecular Properties

Compound Name(E)-1-phenothiazin-10-yldec-3-en-1-one
PubChem CID71767310
Molecular FormulaC22H25NOS
Molecular Weight351.51 g/mol
Exact Mass351.17
IUPAC Name(E)-1-phenothiazin-10-yldec-3-en-1-one
SMILESCCCCCC/C=C/CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H25NOS/c1-2-3-4-5-6-7-8-17-22(24)23-18-13-9-11-15-20(18)25-21-16-12-10-14-19(21)23/h7-16H,2-6,17H2,1H3/b8-7+
InChIKeyONVSVCFQGUFJBE-BQYQJAHWSA-N
XLogP6.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl heptadec-3-enoate
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(9Z,12Z)-1-(1,3-dihydroisoindol-2-yl)octadeca-9,12-dien-1-one
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(3E,11E,14E)-icosa-3,11,14-trienoic acid
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(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(E)-2,2-dimethyltetradec-5-en-3-one
CID 59409783
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(Z)-octadec-9-enoic acid;styrene
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(Z)-octadec-9-enoic acid;2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
CID 70357908

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenothiazin-10-yldec-3-en-1-one?
The IUPAC name of (E)-1-phenothiazin-10-yldec-3-en-1-one (CID 71767310) is (E)-1-phenothiazin-10-yldec-3-en-1-one.
What is the SMILES notation for (E)-1-phenothiazin-10-yldec-3-en-1-one?
The canonical SMILES for (E)-1-phenothiazin-10-yldec-3-en-1-one is CCCCCC/C=C/CC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (E)-1-phenothiazin-10-yldec-3-en-1-one?
The InChIKey is ONVSVCFQGUFJBE-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H25NOS/c1-2-3-4-5-6-7-8-17-22(24)23-18-13-9-11-15-20(18)25-21-16-12-10-14-19(21)23/h7-16H,2-6,17H2,1H3/b8-7+.
What are the key properties of (E)-1-phenothiazin-10-yldec-3-en-1-one?
(E)-1-phenothiazin-10-yldec-3-en-1-one has a molecular weight of 351.51 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenothiazin-10-yldec-3-en-1-one is sourced from PubChem (CID 71767310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).