(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one

C19H19NO — CID 747220

IUPAC(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
SMILESCN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIInChI=1S/C19H19NO/c1-20(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)21/h3-8,11-13H,9-10H2,1-2H3/b16-13+
InChIKeyOZRILDJFQSECBV-DTQAZKPQSA-N
MW277.37 g/mol
LogP3.97
Rot. Bonds2

About (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 747220) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID747220
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
SMILESCN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIInChI=1S/C19H19NO/c1-20(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)21/h3-8,11-13H,9-10H2,1-2H3/b16-13+
InChIKeyOZRILDJFQSECBV-DTQAZKPQSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
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'}

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
4-Dimethylaminoacetophenone
CID 75037
2-(4-(Dimethylamino)benzylidene)-1-indanone
CID 5388521
Shellfish, unspecified
CID 584435
2,6-Bis(4-(dimethylamino)benzylidene)-1-cyclohexanone
CID 1550696
trans,trans-Bis[4-(dimethylamino)benzylidene]acetone
CID 785543
Indophenol blue
CID 67235
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one (CID 747220) is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one is CN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1.
What is the InChIKey of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is OZRILDJFQSECBV-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H19NO/c1-20(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)21/h3-8,11-13H,9-10H2,1-2H3/b16-13+.
What are the key properties of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 277.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 747220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).