(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one

C14H18N2O2 — CID 113290787

IUPAC(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2cccc(N)c2)CCO1
InChIInChI=1S/C14H18N2O2/c1-11-10-16(7-8-18-11)14(17)6-5-12-3-2-4-13(15)9-12/h2-6,9,11H,7-8,10,15H2,1H3/b6-5+
InChIKeyQILGHAVKLRYUCG-AATRIKPKSA-N
MW246.31 g/mol
LogP1.53
Rot. Bonds2

About (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one

(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 113290787) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
PubChem CID113290787
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2cccc(N)c2)CCO1
InChIInChI=1S/C14H18N2O2/c1-11-10-16(7-8-18-11)14(17)6-5-12-3-2-4-13(15)9-12/h2-6,9,11H,7-8,10,15H2,1H3/b6-5+
InChIKeyQILGHAVKLRYUCG-AATRIKPKSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62498335
(E)-3-(3-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 115342885
(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 115342969
(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
CID 94371381
(E)-3-(3-aminophenyl)-1-(3-methoxypiperidin-1-yl)prop-2-en-1-one
CID 102957650
(E)-3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 103495437
(E)-3-(3-aminophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 115342869
1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 102603383
(E)-3-(3-aminophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 115342584
(E)-3-(3-aminophenyl)-1-(4-ethylpiperidin-1-yl)prop-2-en-1-one
CID 115343373
(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 47135151
(E)-3-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one (CID 113290787) is (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one is CC1CN(C(=O)/C=C/c2cccc(N)c2)CCO1.
What is the InChIKey of (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is QILGHAVKLRYUCG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-10-16(7-8-18-11)14(17)6-5-12-3-2-4-13(15)9-12/h2-6,9,11H,7-8,10,15H2,1H3/b6-5+.
What are the key properties of (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 246.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 113290787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).