(3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one

C20H15NO2 — CID 964057

IUPAC(3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one
SMILESCc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)o1
InChIInChI=1S/C20H15NO2/c1-14-11-12-16(23-14)13-18-17-9-5-6-10-19(17)21(20(18)22)15-7-3-2-4-8-15/h2-13H,1H3/b18-13+
InChIKeyWNEYJSSPRKTGSU-QGOAFFKASA-N
MW301.35 g/mol
LogP4.81
Rot. Bonds2

About (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one

(3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one (PubChem CID 964057) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one
PubChem CID964057
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name(3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one
SMILESCc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)o1
InChIInChI=1S/C20H15NO2/c1-14-11-12-16(23-14)13-18-17-9-5-6-10-19(17)21(20(18)22)15-7-3-2-4-8-15/h2-13H,1H3/b18-13+
InChIKeyWNEYJSSPRKTGSU-QGOAFFKASA-N
XLogP4.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.81
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 (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one?
The IUPAC name of (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one (CID 964057) is (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one.
What is the SMILES notation for (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one?
The canonical SMILES for (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one is Cc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)o1.
What is the InChIKey of (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one?
The InChIKey is WNEYJSSPRKTGSU-QGOAFFKASA-N. The full InChI is InChI=1S/C20H15NO2/c1-14-11-12-16(23-14)13-18-17-9-5-6-10-19(17)21(20(18)22)15-7-3-2-4-8-15/h2-13H,1H3/b18-13+.
What are the key properties of (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one?
(3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one has a molecular weight of 301.35 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one is sourced from PubChem (CID 964057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).