(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one

C13H18N2O3 — CID 81484436

IUPAC(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESCC(N)C1CN(C(=O)/C=C/c2ccco2)CCO1
InChIInChI=1S/C13H18N2O3/c1-10(14)12-9-15(6-8-18-12)13(16)5-4-11-3-2-7-17-11/h2-5,7,10,12H,6,8-9,14H2,1H3/b5-4+
InChIKeyUXJSEWRGGDEAOL-SNAWJCMRSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds3

About (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one

(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 81484436) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID81484436
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESCC(N)C1CN(C(=O)/C=C/c2ccco2)CCO1
InChIInChI=1S/C13H18N2O3/c1-10(14)12-9-15(6-8-18-12)13(16)5-4-11-3-2-7-17-11/h2-5,7,10,12H,6,8-9,14H2,1H3/b5-4+
InChIKeyUXJSEWRGGDEAOL-SNAWJCMRSA-N
XLogP0.87
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112627186
(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82234987
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 76990989
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one
CID 81484614
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643
methyl 1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylate
CID 78968036
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443
(E)-3-(furan-2-yl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892451
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one (CID 81484436) is (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one is CC(N)C1CN(C(=O)/C=C/c2ccco2)CCO1.
What is the InChIKey of (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is UXJSEWRGGDEAOL-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(14)12-9-15(6-8-18-12)13(16)5-4-11-3-2-7-17-11/h2-5,7,10,12H,6,8-9,14H2,1H3/b5-4+.
What are the key properties of (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 250.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 81484436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).