(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one

C13H19NO2 — CID 166764494

IUPAC(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
SMILESC=C(C)/C=C\C(=C/C)C(=O)N1CCOCC1
InChIInChI=1S/C13H19NO2/c1-4-12(6-5-11(2)3)13(15)14-7-9-16-10-8-14/h4-6H,2,7-10H2,1,3H3/b6-5-,12-4-
InChIKeySWAGEUPXAUNHEF-RSNHHAHHSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds3

About (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one

(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one (PubChem CID 166764494) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
PubChem CID166764494
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
SMILESC=C(C)/C=C\C(=C/C)C(=O)N1CCOCC1
InChIInChI=1S/C13H19NO2/c1-4-12(6-5-11(2)3)13(15)14-7-9-16-10-8-14/h4-6H,2,7-10H2,1,3H3/b6-5-,12-4-
InChIKeySWAGEUPXAUNHEF-RSNHHAHHSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one?
The IUPAC name of (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one (CID 166764494) is (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one?
The canonical SMILES for (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one is C=C(C)/C=C\C(=C/C)C(=O)N1CCOCC1.
What is the InChIKey of (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one?
The InChIKey is SWAGEUPXAUNHEF-RSNHHAHHSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-12(6-5-11(2)3)13(15)14-7-9-16-10-8-14/h4-6H,2,7-10H2,1,3H3/b6-5-,12-4-.
What are the key properties of (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one?
(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one is sourced from PubChem (CID 166764494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).