(2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one

C16H19NO — CID 12601039

IUPAC(2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one
SMILESCC(=C\N(C)C)/C=C1\CCc2ccccc2C1=O
InChIInChI=1S/C16H19NO/c1-12(11-17(2)3)10-14-9-8-13-6-4-5-7-15(13)16(14)18/h4-7,10-11H,8-9H2,1-3H3/b12-11+,14-10+
InChIKeyWDSKQILYODSYSW-YTOJMCOISA-N
MW241.33 g/mol
LogP3.21
Rot. Bonds2

About (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one

(2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 12601039) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one
PubChem CID12601039
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one
SMILESCC(=C\N(C)C)/C=C1\CCc2ccccc2C1=O
InChIInChI=1S/C16H19NO/c1-12(11-17(2)3)10-14-9-8-13-6-4-5-7-15(13)16(14)18/h4-7,10-11H,8-9H2,1-3H3/b12-11+,14-10+
InChIKeyWDSKQILYODSYSW-YTOJMCOISA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Tetralone
CID 10724
1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-
CID 206388
2-((Dimethylamino)methylene)-1H-indene-1,3(2H)-dione
CID 98825
(2E)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 5374477
(E)-3-Dimethylamino-1-phenyl-propenone
CID 5398495
4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 9948320
3-[Methyl(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 408365
2-[(Dimethylamino)methylene]indan-1-one
CID 2826073
1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
CID 199867
Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
CID 1518
2-(alpha-Naphthoyl)ethyltrimethylammonium iodide
CID 11957648
2-(1-Propylpyridin-4-ylidene)indene-1,3-dione
CID 793991

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one (CID 12601039) is (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one is CC(=C\N(C)C)/C=C1\CCc2ccccc2C1=O.
What is the InChIKey of (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is WDSKQILYODSYSW-YTOJMCOISA-N. The full InChI is InChI=1S/C16H19NO/c1-12(11-17(2)3)10-14-9-8-13-6-4-5-7-15(13)16(14)18/h4-7,10-11H,8-9H2,1-3H3/b12-11+,14-10+.
What are the key properties of (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 12601039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).