(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one

C17H15NO3 — CID 727477

IUPAC(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C17H15NO3/c1-20-15-8-7-11(10-16(15)21-2)9-13-12-5-3-4-6-14(12)18-17(13)19/h3-10H,1-2H3,(H,18,19)/b13-9-
InChIKeyNWARFCHBQFFBGZ-LCYFTJDESA-N
MW281.31 g/mol
LogP3.20
Rot. Bonds3

About (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 727477) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID727477
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C17H15NO3/c1-20-15-8-7-11(10-16(15)21-2)9-13-12-5-3-4-6-14(12)18-17(13)19/h3-10H,1-2H3,(H,18,19)/b13-9-
InChIKeyNWARFCHBQFFBGZ-LCYFTJDESA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
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-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione
CID 37346306
2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 1304469
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947880
N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide
CID 22500237
(3Z)-5-bromo-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1020391
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
methyl (2R)-2-(chloroamino)-3-[4-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]propanoate
CID 89220545

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one (CID 727477) is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one is COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OC.
What is the InChIKey of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is NWARFCHBQFFBGZ-LCYFTJDESA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-15-8-7-11(10-16(15)21-2)9-13-12-5-3-4-6-14(12)18-17(13)19/h3-10H,1-2H3,(H,18,19)/b13-9-.
What are the key properties of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 727477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).