3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one

C12H16N2O — CID 69167062

IUPAC3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one
SMILESCCc1ccncc1C(=O)C=CN(C)C
InChIInChI=1S/C12H16N2O/c1-4-10-5-7-13-9-11(10)12(15)6-8-14(2)3/h5-9H,4H2,1-3H3
InChIKeyFPMDGPLRULUQJX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.90
Rot. Bonds4

About 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one

3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one (PubChem CID 69167062) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one
PubChem CID69167062
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one
SMILESCCc1ccncc1C(=O)C=CN(C)C
InChIInChI=1S/C12H16N2O/c1-4-10-5-7-13-9-11(10)12(15)6-8-14(2)3/h5-9H,4H2,1-3H3
InChIKeyFPMDGPLRULUQJX-UHFFFAOYSA-N
XLogP1.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.90
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)-1-(3-chloro-4-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
CID 19711146
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol
CID 141451458
3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one
CID 4101451
(E)-3-(dimethylamino)-1-isoquinolin-4-ylprop-2-en-1-one
CID 19431957
3-bromo-4-ethylpyridine
CID 13160533
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
4-propylpyridine-3-carboxylic acid
CID 21413297
3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091
3,4-diethylpyridine;ethane
CID 90914060
3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
CID 91007742

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one (CID 69167062) is 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one is CCc1ccncc1C(=O)C=CN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one?
The InChIKey is FPMDGPLRULUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-10-5-7-13-9-11(10)12(15)6-8-14(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one?
3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-ethyl-3-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 69167062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).