(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one

C12H22N2O2 — CID 81484267

IUPAC(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C12H22N2O2/c1-4-5-9(2)12(15)14-6-7-16-11(8-14)10(3)13/h5,10-11H,4,6-8,13H2,1-3H3/b9-5-
InChIKeyURJXWKBTWBVQNP-UITAMQMPSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds3

About (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one

(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one (PubChem CID 81484267) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one
PubChem CID81484267
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C12H22N2O2/c1-4-5-9(2)12(15)14-6-7-16-11(8-14)10(3)13/h5,10-11H,4,6-8,13H2,1-3H3/b9-5-
InChIKeyURJXWKBTWBVQNP-UITAMQMPSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one (CID 81484267) is (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one?
The InChIKey is URJXWKBTWBVQNP-UITAMQMPSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-9(2)12(15)14-6-7-16-11(8-14)10(3)13/h5,10-11H,4,6-8,13H2,1-3H3/b9-5-.
What are the key properties of (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one?
(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one is sourced from PubChem (CID 81484267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).