(E)-1-morpholin-4-yloct-4-en-1-one

C12H21NO2 — CID 166437933

IUPAC(E)-1-morpholin-4-yloct-4-en-1-one
SMILESCCC/C=C/CCC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h4-5H,2-3,6-11H2,1H3/b5-4+
InChIKeyYPCBBBKJILHLSF-SNAWJCMRSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds5

About (E)-1-morpholin-4-yloct-4-en-1-one

(E)-1-morpholin-4-yloct-4-en-1-one (PubChem CID 166437933) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-1-morpholin-4-yloct-4-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yloct-4-en-1-one
PubChem CID166437933
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-1-morpholin-4-yloct-4-en-1-one
SMILESCCC/C=C/CCC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h4-5H,2-3,6-11H2,1H3/b5-4+
InChIKeyYPCBBBKJILHLSF-SNAWJCMRSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Arachidonoylmorpholine
CID 5283433
(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 90071172
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
(E)-2,2-difluoro-1-morpholinodec-4-en-1-one
CID 168720239
(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
Morpholine, 4-(1-oxo-3-butenyl)-
CID 11480569
1-Morpholin-4-ylhept-6-en-1-one
CID 19855845
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
2,2-Difluoro-1-(morpholin-4-yl)pent-4-en-1-one
CID 45080992
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yloct-4-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yloct-4-en-1-one (CID 166437933) is (E)-1-morpholin-4-yloct-4-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yloct-4-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yloct-4-en-1-one is CCC/C=C/CCC(=O)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yloct-4-en-1-one?
The InChIKey is YPCBBBKJILHLSF-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h4-5H,2-3,6-11H2,1H3/b5-4+.
What are the key properties of (E)-1-morpholin-4-yloct-4-en-1-one?
(E)-1-morpholin-4-yloct-4-en-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yloct-4-en-1-one is sourced from PubChem (CID 166437933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).