(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one

C15H15N3O2 — CID 71155184

IUPAC(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
SMILESCCc1ncc(/C=C2\C(=O)Nc3ccc(OC)cc32)[nH]1
InChIInChI=1S/C15H15N3O2/c1-3-14-16-8-9(17-14)6-12-11-7-10(20-2)4-5-13(11)18-15(12)19/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b12-6-
InChIKeyWVAPIIJTXWLDCW-SDQBBNPISA-N
MW269.30 g/mol
LogP2.47
Rot. Bonds3

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

(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one (PubChem CID 71155184) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
PubChem CID71155184
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
SMILESCCc1ncc(/C=C2\C(=O)Nc3ccc(OC)cc32)[nH]1
InChIInChI=1S/C15H15N3O2/c1-3-14-16-8-9(17-14)6-12-11-7-10(20-2)4-5-13(11)18-15(12)19/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b12-6-
InChIKeyWVAPIIJTXWLDCW-SDQBBNPISA-N
XLogP2.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 78015992
(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155147
5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
CID 78015916
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
CID 78015917
(3E)-3-[(5-dimethylphosphoryl-1H-pyrrol-2-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 23398037
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(5-methoxy-2-pyridinyl)-1H-indol-2-one
CID 118696359
(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500303
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
CID 113196375

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one (CID 71155184) is (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one is CCc1ncc(/C=C2\C(=O)Nc3ccc(OC)cc32)[nH]1.
What is the InChIKey of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
The InChIKey is WVAPIIJTXWLDCW-SDQBBNPISA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-14-16-8-9(17-14)6-12-11-7-10(20-2)4-5-13(11)18-15(12)19/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b12-6-.
What are the key properties of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one is sourced from PubChem (CID 71155184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).