3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one

C11H13NO2 — CID 66935305

IUPAC3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-3-5-10(13)6-4-9/h3-8,13H,1-2H3
InChIKeyIWFSJNOIVXUPSR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.65
Rot. Bonds3

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

3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 66935305) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID66935305
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-3-5-10(13)6-4-9/h3-8,13H,1-2H3
InChIKeyIWFSJNOIVXUPSR-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.65
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-phenylphenyl)prop-2-en-1-one
CID 737448
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
CID 71482427
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]formamide
CID 173199056
(E)-3-(dimethylamino)-1-(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one
CID 178202080
(E)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 63706116
(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1472918
(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 20764033
(E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1481362
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one (CID 66935305) is 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one is CN(C)C=CC(=O)c1ccc(O)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is IWFSJNOIVXUPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-3-5-10(13)6-4-9/h3-8,13H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one?
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 66935305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).