(2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one

C12H13NO2 — CID 143822063

IUPAC(2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one
SMILESC=C/C=C(\NC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H13NO2/c1-3-4-11(13-2)12(15)9-5-7-10(14)8-6-9/h3-8,13-14H,1H2,2H3/b11-4-
InChIKeyZMODHAOPQLOBEH-WCIBSUBMSA-N
MW203.24 g/mol
LogP1.86
Rot. Bonds4

About (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one

(2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one (PubChem CID 143822063) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one
PubChem CID143822063
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one
SMILESC=C/C=C(\NC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H13NO2/c1-3-4-11(13-2)12(15)9-5-7-10(14)8-6-9/h3-8,13-14H,1H2,2H3/b11-4-
InChIKeyZMODHAOPQLOBEH-WCIBSUBMSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-1-(4-hydroxyphenyl)-2-(methylamino)but-2-en-1-one
CID 164901470
(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide
CID 174456156
(E)-but-2-ene;4-hydroxy-N-methylbenzamide;methanethiol
CID 178150271
(4-chloro-3-methylidenehepta-4,6-dien-2-yl) N-[3-amino-1-[4-(4-hydroxyphenyl)phenyl]-1-oxobutan-2-yl]carbamate
CID 123343271
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
(Z)-3-(dimethylamino)-1-(4-hydroxyphenyl)-2-methylprop-2-en-1-one
CID 170008571
ethane;(3Z,4Z)-3-ethylidene-1-(4-hydroxyphenyl)hepta-4,6-dien-1-one
CID 142823249
4-hydroxy-N-methyliodanuidylbenzamide
CID 148793599
1-(4-hydroxyphenyl)pentane-1,2-dione
CID 125478605

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one?
The IUPAC name of (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one (CID 143822063) is (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one.
What is the SMILES notation for (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one?
The canonical SMILES for (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one is C=C/C=C(\NC)C(=O)c1ccc(O)cc1.
What is the InChIKey of (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one?
The InChIKey is ZMODHAOPQLOBEH-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-4-11(13-2)12(15)9-5-7-10(14)8-6-9/h3-8,13-14H,1H2,2H3/b11-4-.
What are the key properties of (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one?
(2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-hydroxyphenyl)-2-(methylamino)penta-2,4-dien-1-one is sourced from PubChem (CID 143822063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).