(3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one

C16H11NO2 — CID 22061483

IUPAC(3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C1/OCc2ccccc21
InChIInChI=1S/C16H11NO2/c18-16-14(12-7-3-4-8-13(12)17-16)15-11-6-2-1-5-10(11)9-19-15/h1-8H,9H2,(H,17,18)/b15-14-
InChIKeyRFRBXHQLCXGFPY-PFONDFGASA-N
MW249.27 g/mol
LogP3.04
Rot. Bonds

About (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one

(3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one (PubChem CID 22061483) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one
PubChem CID22061483
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name(3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C1/OCc2ccccc21
InChIInChI=1S/C16H11NO2/c18-16-14(12-7-3-4-8-13(12)17-16)15-11-6-2-1-5-10(11)9-19-15/h1-8H,9H2,(H,17,18)/b15-14-
InChIKeyRFRBXHQLCXGFPY-PFONDFGASA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one (CID 22061483) is (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C1/OCc2ccccc21.
What is the InChIKey of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one?
The InChIKey is RFRBXHQLCXGFPY-PFONDFGASA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-14(12-7-3-4-8-13(12)17-16)15-11-6-2-1-5-10(11)9-19-15/h1-8H,9H2,(H,17,18)/b15-14-.
What are the key properties of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one?
(3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one has a molecular weight of 249.27 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3H-2-benzofuran-1-ylidene)-1H-indol-2-one is sourced from PubChem (CID 22061483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).