(E)-1-morpholin-4-ylhex-2-en-1-one

C10H17NO2 — CID 135042779

IUPAC(E)-1-morpholin-4-ylhex-2-en-1-one
SMILESCCC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h4-5H,2-3,6-9H2,1H3/b5-4+
InChIKeyKTKBFOFOSRQNBY-SNAWJCMRSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About (E)-1-morpholin-4-ylhex-2-en-1-one

(E)-1-morpholin-4-ylhex-2-en-1-one (PubChem CID 135042779) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-1-morpholin-4-ylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-ylhex-2-en-1-one
PubChem CID135042779
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-1-morpholin-4-ylhex-2-en-1-one
SMILESCCC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h4-5H,2-3,6-9H2,1H3/b5-4+
InChIKeyKTKBFOFOSRQNBY-SNAWJCMRSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride
CID 134163237
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
(E)-1-(aziridin-1-yl)pent-2-en-1-one
CID 131245090
(E)-1-piperidin-1-yltridec-2-en-1-one
CID 102388697
(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
1-(azepan-1-yl)dec-2-en-1-one
CID 66769739
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
1-(4-hydroxypiperidin-1-yl)dec-2-en-1-one
CID 123727721
(5Z,8Z,11Z,14Z,17Z)-1-morpholin-4-ylicosa-5,8,11,14,17-pentaen-1-one
CID 138969257

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-ylhex-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-ylhex-2-en-1-one (CID 135042779) is (E)-1-morpholin-4-ylhex-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-ylhex-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-ylhex-2-en-1-one is CCC/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-ylhex-2-en-1-one?
The InChIKey is KTKBFOFOSRQNBY-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h4-5H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of (E)-1-morpholin-4-ylhex-2-en-1-one?
(E)-1-morpholin-4-ylhex-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-ylhex-2-en-1-one is sourced from PubChem (CID 135042779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).