(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal

C11H14N2O — CID 174583129

IUPAC(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal
SMILESCN(C)C/C=C(/C=O)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-13(2)8-6-10(9-14)11-5-3-4-7-12-11/h3-7,9H,8H2,1-2H3/b10-6-
InChIKeyTZLQFAGVFYFFPO-POHAHGRESA-N
MW190.25 g/mol
LogP1.23
Rot. Bonds4

About (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal

(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal (PubChem CID 174583129) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal
PubChem CID174583129
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal
SMILESCN(C)C/C=C(/C=O)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-13(2)8-6-10(9-14)11-5-3-4-7-12-11/h3-7,9H,8H2,1-2H3/b10-6-
InChIKeyTZLQFAGVFYFFPO-POHAHGRESA-N
XLogP1.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal
CID 174484087
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
N,N-dimethyl-2-pyridin-2-ylprop-2-en-1-amine;hydrochloride
CID 54606559
N-methylpyridine-2-carbohydrazide
CID 45084309
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one
CID 131885432
(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 70332424
2-[(E)-1,2-dichloroethenyl]pyridine
CID 146396959

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal?
The IUPAC name of (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal (CID 174583129) is (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal.
What is the SMILES notation for (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal?
The canonical SMILES for (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal is CN(C)C/C=C(/C=O)c1ccccn1.
What is the InChIKey of (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal?
The InChIKey is TZLQFAGVFYFFPO-POHAHGRESA-N. The full InChI is InChI=1S/C11H14N2O/c1-13(2)8-6-10(9-14)11-5-3-4-7-12-11/h3-7,9H,8H2,1-2H3/b10-6-.
What are the key properties of (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal?
(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal has a molecular weight of 190.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal is sourced from PubChem (CID 174583129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).