4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine

C13H23NO2 — CID 101202699

IUPAC4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine
SMILESC/C=C(OCC)/C(=C/C)CN1CCOCC1
InChIInChI=1S/C13H23NO2/c1-4-12(13(5-2)16-6-3)11-14-7-9-15-10-8-14/h4-5H,6-11H2,1-3H3/b12-4+,13-5-
InChIKeyNFCCDZOKVGBCAA-OMKNBNTGSA-N
MW225.33 g/mol
LogP2.21
Rot. Bonds5

About 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine

4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine (PubChem CID 101202699) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine
PubChem CID101202699
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine
SMILESC/C=C(OCC)/C(=C/C)CN1CCOCC1
InChIInChI=1S/C13H23NO2/c1-4-12(13(5-2)16-6-3)11-14-7-9-15-10-8-14/h4-5H,6-11H2,1-3H3/b12-4+,13-5-
InChIKeyNFCCDZOKVGBCAA-OMKNBNTGSA-N
XLogP2.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
CID 142114831
1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
CID 20690182
(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine
CID 67599686
4-[(4-Methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 71036342
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
4-[Iodo-(6-methoxycyclohexa-1,5-dien-1-yl)methyl]-2,6-dimethylmorpholine
CID 89688693
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
4-[3-(6-Methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
CID 123336666
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
4-(5-Methoxyhexa-3,5-dien-3-yl)morpholine
CID 123740206
(6E)-6-ethylidene-5-methylidene-3-propyl-1,3-oxazinane
CID 132091953

Frequently Asked Questions

What is the IUPAC name of 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine?
The IUPAC name of 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine (CID 101202699) is 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine.
What is the SMILES notation for 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine?
The canonical SMILES for 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine is C/C=C(OCC)/C(=C/C)CN1CCOCC1.
What is the InChIKey of 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine?
The InChIKey is NFCCDZOKVGBCAA-OMKNBNTGSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-12(13(5-2)16-6-3)11-14-7-9-15-10-8-14/h4-5H,6-11H2,1-3H3/b12-4+,13-5-.
What are the key properties of 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine?
4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine has a molecular weight of 225.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine is sourced from PubChem (CID 101202699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).