(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one

C13H19NO2 — CID 145369355

IUPAC(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
SMILESC=C/C(=C\C=C/C)C(=O)CN1CCOCC1
InChIInChI=1S/C13H19NO2/c1-3-5-6-12(4-2)13(15)11-14-7-9-16-10-8-14/h3-6H,2,7-11H2,1H3/b5-3-,12-6+
InChIKeyRWEWBEWVPACFFP-YXMBOXQASA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds5

About (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one

(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one (PubChem CID 145369355) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
PubChem CID145369355
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
SMILESC=C/C(=C\C=C/C)C(=O)CN1CCOCC1
InChIInChI=1S/C13H19NO2/c1-3-5-6-12(4-2)13(15)11-14-7-9-16-10-8-14/h3-6H,2,7-11H2,1H3/b5-3-,12-6+
InChIKeyRWEWBEWVPACFFP-YXMBOXQASA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-1-morpholino-4-hexen-3-one hydrochloride
CID 3028622
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
2-Ethyl-5-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 21643426
2-Methyl-5-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 57021562
3,5-Dimethyl-2-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 66583941
(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
CID 88961030
(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one
CID 90008831
4-Ethylidene-2,7-dimethyl-6-(1-morpholin-4-ylethenyl)dodeca-1,5,7,9-tetraen-3-one
CID 91201698
2-Methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 117845095
3-Ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one
CID 123894417
4-[2-(Diethylamino)acetyl]cyclohexa-2,4-dien-1-one
CID 141056011
4-(3-Morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one
CID 141247582

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one?
The IUPAC name of (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one (CID 145369355) is (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one.
What is the SMILES notation for (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one?
The canonical SMILES for (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one is C=C/C(=C\C=C/C)C(=O)CN1CCOCC1.
What is the InChIKey of (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one?
The InChIKey is RWEWBEWVPACFFP-YXMBOXQASA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-6-12(4-2)13(15)11-14-7-9-16-10-8-14/h3-6H,2,7-11H2,1H3/b5-3-,12-6+.
What are the key properties of (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one?
(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one is sourced from PubChem (CID 145369355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).