(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one

C18H17NO2 — CID 58795351

IUPAC(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
SMILESCCN1C(=O)/C(=C\c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C18H17NO2/c1-3-19-17-7-5-4-6-15(17)16(18(19)20)12-13-8-10-14(21-2)11-9-13/h4-12H,3H2,1-2H3/b16-12-
InChIKeyOUYSJLIMRQNUPX-VBKFSLOCSA-N
MW279.34 g/mol
LogP3.60
Rot. Bonds3

About (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one

(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one (PubChem CID 58795351) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
PubChem CID58795351
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
SMILESCCN1C(=O)/C(=C\c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C18H17NO2/c1-3-19-17-7-5-4-6-15(17)16(18(19)20)12-13-8-10-14(21-2)11-9-13/h4-12H,3H2,1-2H3/b16-12-
InChIKeyOUYSJLIMRQNUPX-VBKFSLOCSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126119921
(3Z)-1-ethyl-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]indol-2-one
CID 126126889
methyl 2-[4-[(Z)-(2-oxo-1-propylindol-3-ylidene)methyl]phenoxy]acetate
CID 126125266
3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoic acid
CID 7504667
(3Z)-3-[(4,5-dimethoxy-2-methylphenyl)methylidene]-1-ethylindol-2-one
CID 126119662
(3Z)-1-ethyl-3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]indol-2-one
CID 126121868
(3Z)-3-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117481
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117097
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126202963
(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126204603
(3Z)-1-ethyl-3-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]indol-2-one
CID 126118077

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one?
The IUPAC name of (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one (CID 58795351) is (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one is CCN1C(=O)/C(=C\c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one?
The InChIKey is OUYSJLIMRQNUPX-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-19-17-7-5-4-6-15(17)16(18(19)20)12-13-8-10-14(21-2)11-9-13/h4-12H,3H2,1-2H3/b16-12-.
What are the key properties of (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one?
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one is sourced from PubChem (CID 58795351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).