(2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one

C23H17NO2 — CID 171346750

IUPAC(2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one
SMILESCC(=O)N1/C(=C/c2ccccc2)C(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C23H17NO2/c1-16(25)24-21-13-12-19(18-10-6-3-7-11-18)15-20(21)23(26)22(24)14-17-8-4-2-5-9-17/h2-15H,1H3/b22-14+
InChIKeyIGEXKMMAVZSZEL-HYARGMPZSA-N
MW339.39 g/mol
LogP4.94
Rot. Bonds2

About (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one

(2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one (PubChem CID 171346750) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one.

Molecular Properties

Compound Name(2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one
PubChem CID171346750
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one
SMILESCC(=O)N1/C(=C/c2ccccc2)C(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C23H17NO2/c1-16(25)24-21-13-12-19(18-10-6-3-7-11-18)15-20(21)23(26)22(24)14-17-8-4-2-5-9-17/h2-15H,1H3/b22-14+
InChIKeyIGEXKMMAVZSZEL-HYARGMPZSA-N
XLogP4.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.94
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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Frequently Asked Questions

What is the IUPAC name of (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one?
The IUPAC name of (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one (CID 171346750) is (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one.
What is the SMILES notation for (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one?
The canonical SMILES for (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one is CC(=O)N1/C(=C/c2ccccc2)C(=O)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one?
The InChIKey is IGEXKMMAVZSZEL-HYARGMPZSA-N. The full InChI is InChI=1S/C23H17NO2/c1-16(25)24-21-13-12-19(18-10-6-3-7-11-18)15-20(21)23(26)22(24)14-17-8-4-2-5-9-17/h2-15H,1H3/b22-14+.
What are the key properties of (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one?
(2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one has a molecular weight of 339.39 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-acetyl-2-benzylidene-5-phenylindol-3-one is sourced from PubChem (CID 171346750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).