(E)-1-morpholin-4-ylundec-1-en-3-one

C15H27NO2 — CID 6365346

IUPAC(E)-1-morpholin-4-ylundec-1-en-3-one
SMILESCCCCCCCCC(=O)/C=C/N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-15(17)9-10-16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3/b10-9+
InChIKeyDVSMNBSDFMYNJH-MDZDMXLPSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds9

About (E)-1-morpholin-4-ylundec-1-en-3-one

(E)-1-morpholin-4-ylundec-1-en-3-one (PubChem CID 6365346) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (E)-1-morpholin-4-ylundec-1-en-3-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-ylundec-1-en-3-one
PubChem CID6365346
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(E)-1-morpholin-4-ylundec-1-en-3-one
SMILESCCCCCCCCC(=O)/C=C/N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-15(17)9-10-16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3/b10-9+
InChIKeyDVSMNBSDFMYNJH-MDZDMXLPSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)non-1-en-3-one
CID 57065591
4-undec-1-enylmorpholine
CID 163523688
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
N-morpholin-4-yloctadec-9-enamide
CID 91252017
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
CID 55554342
(E)-tridec-3-ene-2,5-dione
CID 12564114
(E)-1-bromonon-1-en-3-one
CID 10987757

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-ylundec-1-en-3-one?
The IUPAC name of (E)-1-morpholin-4-ylundec-1-en-3-one (CID 6365346) is (E)-1-morpholin-4-ylundec-1-en-3-one.
What is the SMILES notation for (E)-1-morpholin-4-ylundec-1-en-3-one?
The canonical SMILES for (E)-1-morpholin-4-ylundec-1-en-3-one is CCCCCCCCC(=O)/C=C/N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-ylundec-1-en-3-one?
The InChIKey is DVSMNBSDFMYNJH-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-15(17)9-10-16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3/b10-9+.
What are the key properties of (E)-1-morpholin-4-ylundec-1-en-3-one?
(E)-1-morpholin-4-ylundec-1-en-3-one has a molecular weight of 253.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-ylundec-1-en-3-one is sourced from PubChem (CID 6365346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).