1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one

C11H20N2O2 — CID 81484614

IUPAC1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)6-11(14)13-4-5-15-10(7-13)9(3)12/h6,9-10H,4-5,7,12H2,1-3H3
InChIKeyLWVMOJPLQLHAAU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds2

About 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one

1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one (PubChem CID 81484614) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one
PubChem CID81484614
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)6-11(14)13-4-5-15-10(7-13)9(3)12/h6,9-10H,4-5,7,12H2,1-3H3
InChIKeyLWVMOJPLQLHAAU-UHFFFAOYSA-N
XLogP0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
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

2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
(E)-1-[2-(1-aminoethyl)morpholin-4-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 81484436
[2-(1-aminoethyl)morpholin-4-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484253
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 115315098
[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone
CID 113285006
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 115315156
2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide
CID 155951896
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(4-tert-butylcyclohexyl)methanone
CID 81485314
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
5-[2-(1-aminoethyl)morpholine-4-carbonyl]piperidin-2-one
CID 81484363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one (CID 81484614) is 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one is CC(C)=CC(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one?
The InChIKey is LWVMOJPLQLHAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)6-11(14)13-4-5-15-10(7-13)9(3)12/h6,9-10H,4-5,7,12H2,1-3H3.
What are the key properties of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one?
1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one is sourced from PubChem (CID 81484614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).