(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one

C15H13NOS — CID 10682457

IUPAC(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1ccc(/C=C2\C(=O)Nc3ccccc32)s1
InChIInChI=1S/C15H13NOS/c1-2-10-7-8-11(18-10)9-13-12-5-3-4-6-14(12)16-15(13)17/h3-9H,2H2,1H3,(H,16,17)/b13-9-
InChIKeyMFRZHGSWQHNIEA-LCYFTJDESA-N
MW255.34 g/mol
LogP3.80
Rot. Bonds2

About (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one

(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one (PubChem CID 10682457) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one
PubChem CID10682457
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1ccc(/C=C2\C(=O)Nc3ccccc32)s1
InChIInChI=1S/C15H13NOS/c1-2-10-7-8-11(18-10)9-13-12-5-3-4-6-14(12)16-15(13)17/h3-9H,2H2,1H3,(H,16,17)/b13-9-
InChIKeyMFRZHGSWQHNIEA-LCYFTJDESA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one (CID 10682457) is (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one is CCc1ccc(/C=C2\C(=O)Nc3ccccc32)s1.
What is the InChIKey of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is MFRZHGSWQHNIEA-LCYFTJDESA-N. The full InChI is InChI=1S/C15H13NOS/c1-2-10-7-8-11(18-10)9-13-12-5-3-4-6-14(12)16-15(13)17/h3-9H,2H2,1H3,(H,16,17)/b13-9-.
What are the key properties of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one?
(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 255.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 10682457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).