(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one

C20H17NO3 — CID 35494213

IUPAC(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
SMILESCCn1cc(/C=C2\Oc3cc(OC)ccc3C2=O)c2ccccc21
InChIInChI=1S/C20H17NO3/c1-3-21-12-13(15-6-4-5-7-17(15)21)10-19-20(22)16-9-8-14(23-2)11-18(16)24-19/h4-12H,3H2,1-2H3/b19-10-
InChIKeyPSEYNVLPRGEIFM-GRSHGNNSSA-N
MW319.36 g/mol
LogP4.29
Rot. Bonds3

About (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one

(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one (PubChem CID 35494213) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
PubChem CID35494213
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
SMILESCCn1cc(/C=C2\Oc3cc(OC)ccc3C2=O)c2ccccc21
InChIInChI=1S/C20H17NO3/c1-3-21-12-13(15-6-4-5-7-17(15)21)10-19-20(22)16-9-8-14(23-2)11-18(16)24-19/h4-12H,3H2,1-2H3/b19-10-
InChIKeyPSEYNVLPRGEIFM-GRSHGNNSSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one (CID 35494213) is (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one is CCn1cc(/C=C2\Oc3cc(OC)ccc3C2=O)c2ccccc21.
What is the InChIKey of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one?
The InChIKey is PSEYNVLPRGEIFM-GRSHGNNSSA-N. The full InChI is InChI=1S/C20H17NO3/c1-3-21-12-13(15-6-4-5-7-17(15)21)10-19-20(22)16-9-8-14(23-2)11-18(16)24-19/h4-12H,3H2,1-2H3/b19-10-.
What are the key properties of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one?
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one has a molecular weight of 319.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 35494213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).