4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione

C11H16N2O6 — CID 144946774

IUPAC4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione
SMILESO=C1CN(CCN2CC(=O)OC(=O)C2)CCOCO1
InChIInChI=1S/C11H16N2O6/c14-9-5-12(3-4-17-8-18-9)1-2-13-6-10(15)19-11(16)7-13/h1-8H2
InChIKeyUHSYKHDUJSJQEJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.80
Rot. Bonds3

About 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione

4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione (PubChem CID 144946774) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione
PubChem CID144946774
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione
SMILESO=C1CN(CCN2CC(=O)OC(=O)C2)CCOCO1
InChIInChI=1S/C11H16N2O6/c14-9-5-12(3-4-17-8-18-9)1-2-13-6-10(15)19-11(16)7-13/h1-8H2
InChIKeyUHSYKHDUJSJQEJ-UHFFFAOYSA-N
XLogP-1.80
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one
CID 171396492
4-[2-(2-hydroxy-6-oxomorpholin-4-yl)ethyl]morpholine-2,6-dione
CID 126488910
2-(2-oxomorpholin-4-yl)ethyl methanesulfonate
CID 15287412
2-[4,10-bis(carboxymethyl)-2-oxo-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 118536065
4-(cyclopropylmethyl)morpholine-2,6-dione
CID 63778853
4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione
CID 63789057
4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione
CID 63788368
7,16,25-trimethyl-1,4,10,13,19,22-hexaoxa-7,16,25-triazacycloheptacosane-5,9,14,18,23,27-hexone
CID 100941710
3-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
CID 69043566
6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one
CID 163580616
1,3,7-trioxecane-4,6,8,10-tetrone
CID 58502714
4-propyl-1,4-oxazepan-7-one
CID 66780385

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione?
The IUPAC name of 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione (CID 144946774) is 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione?
The canonical SMILES for 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione is O=C1CN(CCN2CC(=O)OC(=O)C2)CCOCO1.
What is the InChIKey of 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione?
The InChIKey is UHSYKHDUJSJQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c14-9-5-12(3-4-17-8-18-9)1-2-13-6-10(15)19-11(16)7-13/h1-8H2.
What are the key properties of 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione?
4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione has a molecular weight of 272.26 g/mol, XLogP of -1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione is sourced from PubChem (CID 144946774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).