(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one

C22H18N2O — CID 58662755

IUPAC(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
SMILESCCc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C22H18N2O/c1-2-15-6-3-4-7-16(15)12-20-19-10-9-17(13-21(19)24-22(20)25)18-8-5-11-23-14-18/h3-14H,2H2,1H3,(H,24,25)/b20-12+
InChIKeyQDURJQMOGKYOLM-UDWIEESQSA-N
MW326.40 g/mol
LogP4.80
Rot. Bonds3

About (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one

(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one (PubChem CID 58662755) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
PubChem CID58662755
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
SMILESCCc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C22H18N2O/c1-2-15-6-3-4-7-16(15)12-20-19-10-9-17(13-21(19)24-22(20)25)18-8-5-11-23-14-18/h3-14H,2H2,1H3,(H,24,25)/b20-12+
InChIKeyQDURJQMOGKYOLM-UDWIEESQSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.80
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 (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one (CID 58662755) is (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one is CCc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccnc3)ccc21.
What is the InChIKey of (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
The InChIKey is QDURJQMOGKYOLM-UDWIEESQSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-15-6-3-4-7-16(15)12-20-19-10-9-17(13-21(19)24-22(20)25)18-8-5-11-23-14-18/h3-14H,2H2,1H3,(H,24,25)/b20-12+.
What are the key properties of (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one has a molecular weight of 326.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one is sourced from PubChem (CID 58662755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).