(E)-5-morpholin-4-ylhex-4-en-3-one

C10H17NO2 — CID 134894545

IUPAC(E)-5-morpholin-4-ylhex-4-en-3-one
SMILESCCC(=O)/C=C(\C)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyINNNUGHNXGVUSK-CMDGGOBGSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About (E)-5-morpholin-4-ylhex-4-en-3-one

(E)-5-morpholin-4-ylhex-4-en-3-one (PubChem CID 134894545) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-5-morpholin-4-ylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-5-morpholin-4-ylhex-4-en-3-one
PubChem CID134894545
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-5-morpholin-4-ylhex-4-en-3-one
SMILESCCC(=O)/C=C(\C)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyINNNUGHNXGVUSK-CMDGGOBGSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
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

3-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-one
CID 4570259
3-Penten-2-one, 4-morpholino-
CID 5373307
3-Morpholinocyclopent-2-en-1-one
CID 13761654
4-Morpholin-4-yl-pent-3-en-2-one
CID 592427
(Z)-4-morpholin-4-ylpent-3-en-2-one
CID 21160636
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(4-morpholinyl)-
CID 610024
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
3-Morpholin-4-ylcyclobut-2-en-1-one
CID 25057264
2,3-Dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one
CID 91239414
2-Methyl-6-morpholin-4-ylpyran-4-one
CID 121400869
(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one
CID 139523180
4-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141267365

Frequently Asked Questions

What is the IUPAC name of (E)-5-morpholin-4-ylhex-4-en-3-one?
The IUPAC name of (E)-5-morpholin-4-ylhex-4-en-3-one (CID 134894545) is (E)-5-morpholin-4-ylhex-4-en-3-one.
What is the SMILES notation for (E)-5-morpholin-4-ylhex-4-en-3-one?
The canonical SMILES for (E)-5-morpholin-4-ylhex-4-en-3-one is CCC(=O)/C=C(\C)N1CCOCC1.
What is the InChIKey of (E)-5-morpholin-4-ylhex-4-en-3-one?
The InChIKey is INNNUGHNXGVUSK-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-5-morpholin-4-ylhex-4-en-3-one?
(E)-5-morpholin-4-ylhex-4-en-3-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-morpholin-4-ylhex-4-en-3-one is sourced from PubChem (CID 134894545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).