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

C15H20N2O2 — CID 115342969

IUPAC(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1(C)CN(C(=O)/C=C/c2cccc(N)c2)CCO1
InChIInChI=1S/C15H20N2O2/c1-15(2)11-17(8-9-19-15)14(18)7-6-12-4-3-5-13(16)10-12/h3-7,10H,8-9,11,16H2,1-2H3/b7-6+
InChIKeyIHTDMNOZUJFBEI-VOTSOKGWSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds2

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

(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 115342969) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
PubChem CID115342969
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1(C)CN(C(=O)/C=C/c2cccc(N)c2)CCO1
InChIInChI=1S/C15H20N2O2/c1-15(2)11-17(8-9-19-15)14(18)7-6-12-4-3-5-13(16)10-12/h3-7,10H,8-9,11,16H2,1-2H3/b7-6+
InChIKeyIHTDMNOZUJFBEI-VOTSOKGWSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.92
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

1-[(E)-3-(3-aminophenyl)prop-2-enoyl]-3-methylpiperidine-3-carboxylic acid
CID 115344073
(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 113290787
(E)-3-(3-aminophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 115342869
(E)-3-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436
(E)-3-(3-aminophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 115342717
(E)-3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 103495437
(E)-3-(3-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)prop-2-en-1-one
CID 115343940
(E)-3-(3-aminophenyl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 115342682
(E)-3-(3-aminophenyl)-1-(4-ethylpiperidin-1-yl)prop-2-en-1-one
CID 115343373
(E)-3-(4-butoxy-3-methoxyphenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 55675477
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43592329
2-[4-[(E)-3-(3-aminophenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 115343530

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one (CID 115342969) is (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one is CC1(C)CN(C(=O)/C=C/c2cccc(N)c2)CCO1.
What is the InChIKey of (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is IHTDMNOZUJFBEI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)11-17(8-9-19-15)14(18)7-6-12-4-3-5-13(16)10-12/h3-7,10H,8-9,11,16H2,1-2H3/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one?
(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.92, 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-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 115342969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).