(E)-6-morpholin-4-ylhex-4-en-3-one

C10H17NO2 — CID 14765507

IUPAC(E)-6-morpholin-4-ylhex-4-en-3-one
SMILESCCC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-10(12)4-3-5-11-6-8-13-9-7-11/h3-4H,2,5-9H2,1H3/b4-3+
InChIKeyIFBJVILQHOUFJH-ONEGZZNKSA-N
MW183.25 g/mol
LogP0.85
Rot. Bonds4

About (E)-6-morpholin-4-ylhex-4-en-3-one

(E)-6-morpholin-4-ylhex-4-en-3-one (PubChem CID 14765507) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-6-morpholin-4-ylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-morpholin-4-ylhex-4-en-3-one
PubChem CID14765507
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-6-morpholin-4-ylhex-4-en-3-one
SMILESCCC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-10(12)4-3-5-11-6-8-13-9-7-11/h3-4H,2,5-9H2,1H3/b4-3+
InChIKeyIFBJVILQHOUFJH-ONEGZZNKSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-morpholin-4-ylhex-3-en-5-yn-2-one
CID 15253650
(E)-6-[4-[2-(2-fluoroethoxy)ethyl]piperazin-1-yl]-2-methylhex-4-en-3-one
CID 124168776
(E)-5-[4-[2-(2-fluoroethoxy)ethyl]piperazin-1-yl]pent-3-en-2-one
CID 124173954
(E)-6-[4-[2-(2-fluoroethoxy)ethyl]piperazin-1-yl]hex-4-en-3-one
CID 148193639
(E)-1-morpholin-4-ylhept-4-ene-1,6-dione
CID 125476306
4-Methyl-5-morpholinopent-3-en-2-one
CID 129771446
(E)-5-morpholin-4-ylhex-4-en-3-one
CID 134894545
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one
CID 166440192
5-Methyl-1-morpholino-4-hexen-3-one hydrochloride
CID 3028622
1-Morpholin-4-yloct-2-en-1-one
CID 252433
(E)-5-morpholin-4-ylpent-3-en-2-one
CID 14765506

Frequently Asked Questions

What is the IUPAC name of (E)-6-morpholin-4-ylhex-4-en-3-one?
The IUPAC name of (E)-6-morpholin-4-ylhex-4-en-3-one (CID 14765507) is (E)-6-morpholin-4-ylhex-4-en-3-one.
What is the SMILES notation for (E)-6-morpholin-4-ylhex-4-en-3-one?
The canonical SMILES for (E)-6-morpholin-4-ylhex-4-en-3-one is CCC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-6-morpholin-4-ylhex-4-en-3-one?
The InChIKey is IFBJVILQHOUFJH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(12)4-3-5-11-6-8-13-9-7-11/h3-4H,2,5-9H2,1H3/b4-3+.
What are the key properties of (E)-6-morpholin-4-ylhex-4-en-3-one?
(E)-6-morpholin-4-ylhex-4-en-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-morpholin-4-ylhex-4-en-3-one is sourced from PubChem (CID 14765507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).