(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one

C11H14N2O — CID 1480024

IUPAC(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one
SMILESC/C(=C/C(=O)c1ccncc1)N(C)C
InChIInChI=1S/C11H14N2O/c1-9(13(2)3)8-11(14)10-4-6-12-7-5-10/h4-8H,1-3H3/b9-8-
InChIKeyQERHIRHODWYXGV-HJWRWDBZSA-N
MW190.25 g/mol
LogP1.73
Rot. Bonds3

About (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one

(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one (PubChem CID 1480024) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one
PubChem CID1480024
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one
SMILESC/C(=C/C(=O)c1ccncc1)N(C)C
InChIInChI=1S/C11H14N2O/c1-9(13(2)3)8-11(14)10-4-6-12-7-5-10/h4-8H,1-3H3/b9-8-
InChIKeyQERHIRHODWYXGV-HJWRWDBZSA-N
XLogP1.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
3-(dimethylamino)-1-(4-methylphenyl)but-2-en-1-one
CID 53395942
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
CID 2764349
1-pyridin-4-ylbut-2-en-1-one
CID 86070863
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
(E)-3-[4-(dimethylamino)anilino]-1-pyridin-4-ylprop-2-en-1-one
CID 23591163
sodium (E)-1,1,1-trifluoro-4-oxo-4-pyridin-4-ylbut-2-en-2-olate
CID 23688301
(E)-3-(dimethylamino)-1-[4-(trifluoromethyl)pyrimidin-2-yl]but-2-en-1-one
CID 68753152
1-(dimethylamino)-4-methyl-2-pyridin-4-ylpent-1-en-3-one
CID 54421976
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
CID 139178157
propan-2-one;pyridine-4-carboxamide
CID 174689468

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one (CID 1480024) is (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one is C/C(=C/C(=O)c1ccncc1)N(C)C.
What is the InChIKey of (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one?
The InChIKey is QERHIRHODWYXGV-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(13(2)3)8-11(14)10-4-6-12-7-5-10/h4-8H,1-3H3/b9-8-.
What are the key properties of (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one?
(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one is sourced from PubChem (CID 1480024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).