(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

C18H13NO2 — CID 44554236

IUPAC(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCn1cc(/C=C2\Oc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C18H13NO2/c1-19-11-12(13-6-2-4-8-15(13)19)10-17-18(20)14-7-3-5-9-16(14)21-17/h2-11H,1H3/b17-10-
InChIKeyGOKCOGBOCVSERM-YVLHZVERSA-N
MW275.31 g/mol
LogP3.79
Rot. Bonds1

About (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 44554236) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID44554236
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCn1cc(/C=C2\Oc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C18H13NO2/c1-19-11-12(13-6-2-4-8-15(13)19)10-17-18(20)14-7-3-5-9-16(14)21-17/h2-11H,1H3/b17-10-
InChIKeyGOKCOGBOCVSERM-YVLHZVERSA-N
XLogP3.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (CID 44554236) is (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is Cn1cc(/C=C2\Oc3ccccc3C2=O)c2ccccc21.
What is the InChIKey of (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is GOKCOGBOCVSERM-YVLHZVERSA-N. The full InChI is InChI=1S/C18H13NO2/c1-19-11-12(13-6-2-4-8-15(13)19)10-17-18(20)14-7-3-5-9-16(14)21-17/h2-11H,1H3/b17-10-.
What are the key properties of (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 275.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 44554236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).