(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one

C26H23NO — CID 139051089

IUPAC(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one
SMILESCN1C(=O)[C@@](C/C=C/C=C/c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23NO/c1-27-24-19-11-10-18-23(24)26(25(27)28,22-16-8-3-9-17-22)20-12-4-7-15-21-13-5-2-6-14-21/h2-19H,20H2,1H3/b12-4+,15-7+/t26-/m0/s1
InChIKeyRBKRTQPMLKMVJH-OOVOLLPLSA-N
MW365.48 g/mol
LogP5.61
Rot. Bonds5

About (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one

(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one (PubChem CID 139051089) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one
PubChem CID139051089
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one
SMILESCN1C(=O)[C@@](C/C=C/C=C/c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23NO/c1-27-24-19-11-10-18-23(24)26(25(27)28,22-16-8-3-9-17-22)20-12-4-7-15-21-13-5-2-6-14-21/h2-19H,20H2,1H3/b12-4+,15-7+/t26-/m0/s1
InChIKeyRBKRTQPMLKMVJH-OOVOLLPLSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one?
The IUPAC name of (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one (CID 139051089) is (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one.
What is the SMILES notation for (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one?
The canonical SMILES for (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one is CN1C(=O)[C@@](C/C=C/C=C/c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one?
The InChIKey is RBKRTQPMLKMVJH-OOVOLLPLSA-N. The full InChI is InChI=1S/C26H23NO/c1-27-24-19-11-10-18-23(24)26(25(27)28,22-16-8-3-9-17-22)20-12-4-7-15-21-13-5-2-6-14-21/h2-19H,20H2,1H3/b12-4+,15-7+/t26-/m0/s1.
What are the key properties of (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one?
(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one has a molecular weight of 365.48 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one is sourced from PubChem (CID 139051089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).