(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one

C19H19NO3 — CID 126120168

IUPAC(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-4-20-17-8-6-5-7-15(17)16(19(20)21)12-13-11-14(22-2)9-10-18(13)23-3/h5-12H,4H2,1-3H3/b16-12-
InChIKeyJDLKQCWTDCULKR-VBKFSLOCSA-N
MW309.37 g/mol
LogP3.61
Rot. Bonds4

About (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one

(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one (PubChem CID 126120168) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
PubChem CID126120168
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-4-20-17-8-6-5-7-15(17)16(19(20)21)12-13-11-14(22-2)9-10-18(13)23-3/h5-12H,4H2,1-3H3/b16-12-
InChIKeyJDLKQCWTDCULKR-VBKFSLOCSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91050596
(3Z)-3-[(4,5-dimethoxy-2-methylphenyl)methylidene]-1-ethylindol-2-one
CID 126119662
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(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)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117097
(3Z)-3-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117481
(3Z)-3-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1-propylindol-2-one
CID 126125874
(3Z)-1-ethyl-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]indol-2-one
CID 126126889
1-ethyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylidene]indol-2-one
CID 951638
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one (CID 126120168) is (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one is CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)c2ccccc21.
What is the InChIKey of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
The InChIKey is JDLKQCWTDCULKR-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-20-17-8-6-5-7-15(17)16(19(20)21)12-13-11-14(22-2)9-10-18(13)23-3/h5-12H,4H2,1-3H3/b16-12-.
What are the key properties of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126120168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).