2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine

C14H23NO — CID 142862880

IUPAC2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine
SMILESC=C/C=C(\C=C/C)CN1CCOC(CC)C1
InChIInChI=1S/C14H23NO/c1-4-7-13(8-5-2)11-15-9-10-16-14(6-3)12-15/h4-5,7-8,14H,1,6,9-12H2,2-3H3/b8-5-,13-7+
InChIKeyCQQKYGCXIFNNSV-AXBOXZAGSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds5

About 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine

2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine (PubChem CID 142862880) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine.

Molecular Properties

Compound Name2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine
PubChem CID142862880
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine
SMILESC=C/C=C(\C=C/C)CN1CCOC(CC)C1
InChIInChI=1S/C14H23NO/c1-4-7-13(8-5-2)11-15-9-10-16-14(6-3)12-15/h4-5,7-8,14H,1,6,9-12H2,2-3H3/b8-5-,13-7+
InChIKeyCQQKYGCXIFNNSV-AXBOXZAGSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine?
The IUPAC name of 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine (CID 142862880) is 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine.
What is the SMILES notation for 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine?
The canonical SMILES for 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine is C=C/C=C(\C=C/C)CN1CCOC(CC)C1.
What is the InChIKey of 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine?
The InChIKey is CQQKYGCXIFNNSV-AXBOXZAGSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-13(8-5-2)11-15-9-10-16-14(6-3)12-15/h4-5,7-8,14H,1,6,9-12H2,2-3H3/b8-5-,13-7+.
What are the key properties of 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine?
2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine is sourced from PubChem (CID 142862880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).