1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one

C11H13NO2 — CID 135086544

IUPAC1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
SMILESCNC=CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H13NO2/c1-12-8-7-11(13)9-3-5-10(14-2)6-4-9/h3-8,12H,1-2H3
InChIKeyONPAZHAKYISMIP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one

1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one (PubChem CID 135086544) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
PubChem CID135086544
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
SMILESCNC=CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H13NO2/c1-12-8-7-11(13)9-3-5-10(14-2)6-4-9/h3-8,12H,1-2H3
InChIKeyONPAZHAKYISMIP-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.61
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-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(E)-1-(4-methoxyphenyl)-3-[[(1R,2R)-2-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]cyclohexyl]amino]prop-2-en-1-one
CID 101162810
1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 2825443
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
(E)-3-(2-chloro-5-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013706
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 162787515
1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one
CID 801067
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenoxy)anilino]prop-2-en-1-one
CID 171156907
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one (CID 135086544) is 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one is CNC=CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one?
The InChIKey is ONPAZHAKYISMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-8-7-11(13)9-3-5-10(14-2)6-4-9/h3-8,12H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one?
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one is sourced from PubChem (CID 135086544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).