(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one

C12H15NO2 — CID 170008571

IUPAC(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one
SMILESC/C(=C/N(C)C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c1-9(8-13(2)3)12(15)10-4-6-11(14)7-5-10/h4-8,14H,1-3H3/b9-8-
InChIKeyACUJFPCVHQDSNO-HJWRWDBZSA-N
MW205.26 g/mol
LogP2.04
Rot. Bonds3

About (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one

(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one (PubChem CID 170008571) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one
PubChem CID170008571
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one
SMILESC/C(=C/N(C)C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c1-9(8-13(2)3)12(15)10-4-6-11(14)7-5-10/h4-8,14H,1-3H3/b9-8-
InChIKeyACUJFPCVHQDSNO-HJWRWDBZSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
CID 123608468
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
(2E)-2-(dimethylaminomethylidene)-1-(4-fluorophenyl)butane-1,3-dione
CID 70568028
3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one
CID 57169439
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10334800
4-[2-(dimethylaminomethylidene)-3-oxobutanoyl]benzonitrile
CID 57095726
(E)-2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 22317021
N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide
CID 173466200
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one (CID 170008571) is (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one is C/C(=C/N(C)C)C(=O)c1ccc(O)cc1.
What is the InChIKey of (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one?
The InChIKey is ACUJFPCVHQDSNO-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(8-13(2)3)12(15)10-4-6-11(14)7-5-10/h4-8,14H,1-3H3/b9-8-.
What are the key properties of (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one?
(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 170008571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).