(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one

C23H18N2O4 — CID 58662750

IUPAC(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one
SMILESCCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)ccc21
InChIInChI=1S/C23H18N2O4/c1-2-29-22-9-4-3-6-17(22)13-20-19-11-10-16(14-21(19)24-23(20)26)15-7-5-8-18(12-15)25(27)28/h3-14H,2H2,1H3,(H,24,26)/b20-13+
InChIKeyKOOMIFRLQUQPJT-DEDYPNTBSA-N
MW386.41 g/mol
LogP5.15
Rot. Bonds5

About (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one

(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one (PubChem CID 58662750) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one
PubChem CID58662750
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one
SMILESCCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)ccc21
InChIInChI=1S/C23H18N2O4/c1-2-29-22-9-4-3-6-17(22)13-20-19-11-10-16(14-21(19)24-23(20)26)15-7-5-8-18(12-15)25(27)28/h3-14H,2H2,1H3,(H,24,26)/b20-13+
InChIKeyKOOMIFRLQUQPJT-DEDYPNTBSA-N
XLogP5.15
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
CID 58662684
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
3-[(2-ethoxyphenyl)methylidene]-6-prop-2-enoxy-1H-indol-2-one
CID 72985927
(3E)-6-(1,3-benzoxazol-2-yl)-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 11639542
5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide
CID 73064996
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
4-[(2-butoxyphenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one
CID 171131866
(5E)-1-(2-ethoxyphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126250800
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 51063603

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one (CID 58662750) is (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one is CCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)ccc21.
What is the InChIKey of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one?
The InChIKey is KOOMIFRLQUQPJT-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-2-29-22-9-4-3-6-17(22)13-20-19-11-10-16(14-21(19)24-23(20)26)15-7-5-8-18(12-15)25(27)28/h3-14H,2H2,1H3,(H,24,26)/b20-13+.
What are the key properties of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one?
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one has a molecular weight of 386.41 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one is sourced from PubChem (CID 58662750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).