(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide

C11H20N2O2 — CID 90151612

IUPAC(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide
SMILESC/C(C(N)=O)=C(/C)C(C)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-8(9(2)11(12)14)10(3)13-4-6-15-7-5-13/h10H,4-7H2,1-3H3,(H2,12,14)/b9-8+
InChIKeyJJIBCSXBYGTTRL-CMDGGOBGSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds3

About (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide

(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide (PubChem CID 90151612) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide.

Molecular Properties

Compound Name(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide
PubChem CID90151612
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide
SMILESC/C(C(N)=O)=C(/C)C(C)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-8(9(2)11(12)14)10(3)13-4-6-15-7-5-13/h10H,4-7H2,1-3H3,(H2,12,14)/b9-8+
InChIKeyJJIBCSXBYGTTRL-CMDGGOBGSA-N
XLogP0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide?
The IUPAC name of (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide (CID 90151612) is (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide.
What is the SMILES notation for (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide?
The canonical SMILES for (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide is C/C(C(N)=O)=C(/C)C(C)N1CCOCC1.
What is the InChIKey of (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide?
The InChIKey is JJIBCSXBYGTTRL-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(9(2)11(12)14)10(3)13-4-6-15-7-5-13/h10H,4-7H2,1-3H3,(H2,12,14)/b9-8+.
What are the key properties of (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide?
(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide is sourced from PubChem (CID 90151612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).