(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one

C16H13NO2 — CID 727515

IUPAC(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)/b14-10+
InChIKeySOHLANGNFXOOEF-GXDHUFHOSA-N
MW251.28 g/mol
LogP3.19
Rot. Bonds2

About (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 727515) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID727515
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)/b14-10+
InChIKeySOHLANGNFXOOEF-GXDHUFHOSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 23398029
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one (CID 727515) is (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one is COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is SOHLANGNFXOOEF-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)/b14-10+.
What are the key properties of (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 727515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).