(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide

C13H22N2O2 — CID 88899306

IUPAC(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
SMILESC/C=C\C(=C/C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-3-5-12(4-2)13(16)14-6-7-15-8-10-17-11-9-15/h3-5H,6-11H2,1-2H3,(H,14,16)/b5-3-,12-4+
InChIKeyMXNQTZDOKDNCTN-BVEFSZSYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds5

About (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide

(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide (PubChem CID 88899306) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
PubChem CID88899306
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
SMILESC/C=C\C(=C/C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-3-5-12(4-2)13(16)14-6-7-15-8-10-17-11-9-15/h3-5H,6-11H2,1-2H3,(H,14,16)/b5-3-,12-4+
InChIKeyMXNQTZDOKDNCTN-BVEFSZSYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide?
The IUPAC name of (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide (CID 88899306) is (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide?
The canonical SMILES for (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide is C/C=C\C(=C/C)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide?
The InChIKey is MXNQTZDOKDNCTN-BVEFSZSYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-12(4-2)13(16)14-6-7-15-8-10-17-11-9-15/h3-5H,6-11H2,1-2H3,(H,14,16)/b5-3-,12-4+.
What are the key properties of (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide?
(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide has a molecular weight of 238.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide is sourced from PubChem (CID 88899306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).