ethane;morpholine-2,6-dione

C6H11NO3 — CID 143176995

IUPACethane;morpholine-2,6-dione
SMILESCC.O=C1CNCC(=O)O1
InChIInChI=1S/C4H5NO3.C2H6/c6-3-1-5-2-4(7)8-3;1-2/h5H,1-2H2;1-2H3
InChIKeyUPZGJBGORYVCJI-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds

About ethane;morpholine-2,6-dione

ethane;morpholine-2,6-dione (PubChem CID 143176995) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethane;morpholine-2,6-dione.

Molecular Properties

Compound Nameethane;morpholine-2,6-dione
PubChem CID143176995
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethane;morpholine-2,6-dione
SMILESCC.O=C1CNCC(=O)O1
InChIInChI=1S/C4H5NO3.C2H6/c6-3-1-5-2-4(7)8-3;1-2/h5H,1-2H2;1-2H3
InChIKeyUPZGJBGORYVCJI-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Morpholin-2-one
CID 19910037
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827
4-Methylmorpholine-2,6-dione
CID 14320324
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Methyl N-ethylglycinate
CID 12591596
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
(2-Ethoxy-2-oxoethyl)-methylazanium
CID 6950552
Mor-pholinium acetate
CID 10942589
4-Ethylmorpholine-2,6-dione
CID 19018345

Frequently Asked Questions

What is the IUPAC name of ethane;morpholine-2,6-dione?
The IUPAC name of ethane;morpholine-2,6-dione (CID 143176995) is ethane;morpholine-2,6-dione.
What is the SMILES notation for ethane;morpholine-2,6-dione?
The canonical SMILES for ethane;morpholine-2,6-dione is CC.O=C1CNCC(=O)O1.
What is the InChIKey of ethane;morpholine-2,6-dione?
The InChIKey is UPZGJBGORYVCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C2H6/c6-3-1-5-2-4(7)8-3;1-2/h5H,1-2H2;1-2H3.
What are the key properties of ethane;morpholine-2,6-dione?
ethane;morpholine-2,6-dione has a molecular weight of 145.16 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholine-2,6-dione is sourced from PubChem (CID 143176995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).