(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one

C19H19NO2 — CID 53315284

IUPAC(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
SMILESCOc1ccc2c(c1)C/C(=C\c1ccc(N(C)C)cc1)C2=O
InChIInChI=1S/C19H19NO2/c1-20(2)16-6-4-13(5-7-16)10-15-11-14-12-17(22-3)8-9-18(14)19(15)21/h4-10,12H,11H2,1-3H3/b15-10+
InChIKeyBRJSGBLBUQXGOD-XNTDXEJSSA-N
MW293.37 g/mol
LogP3.58
Rot. Bonds3

About (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one (PubChem CID 53315284) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
PubChem CID53315284
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
SMILESCOc1ccc2c(c1)C/C(=C\c1ccc(N(C)C)cc1)C2=O
InChIInChI=1S/C19H19NO2/c1-20(2)16-6-4-13(5-7-16)10-15-11-14-12-17(22-3)8-9-18(14)19(15)21/h4-10,12H,11H2,1-3H3/b15-10+
InChIKeyBRJSGBLBUQXGOD-XNTDXEJSSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 58855563
2-[(3,5-dimethoxyphenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 54264295
5-tert-butyl-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
CID 165341499
2-[(3-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 175387441
6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
CID 174901660
(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
CID 134130901
N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide
CID 166642387
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
6-methoxy-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2738104
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
CID 6212947
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoic acid
CID 9447278

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one?
The IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one (CID 53315284) is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one?
The canonical SMILES for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one is COc1ccc2c(c1)C/C(=C\c1ccc(N(C)C)cc1)C2=O.
What is the InChIKey of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one?
The InChIKey is BRJSGBLBUQXGOD-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20(2)16-6-4-13(5-7-16)10-15-11-14-12-17(22-3)8-9-18(14)19(15)21/h4-10,12H,11H2,1-3H3/b15-10+.
What are the key properties of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one?
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one is sourced from PubChem (CID 53315284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).