(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one

C17H16N2O — CID 6450842

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
InChIKeyUAKWLVYMKBWHMX-PTNGSMBKSA-N
MW264.33 g/mol
LogP3.25
Rot. Bonds2

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one (PubChem CID 6450842) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
PubChem CID6450842
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
InChIKeyUAKWLVYMKBWHMX-PTNGSMBKSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one (CID 6450842) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one is CN(C)c1ccc(/C=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is UAKWLVYMKBWHMX-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 6450842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).