3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal

C6H7NO4 — CID 174956648

IUPAC3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal
SMILESO=CC(=O)C(=O)C1CNCO1
InChIInChI=1S/C6H7NO4/c8-2-4(9)6(10)5-1-7-3-11-5/h2,5,7H,1,3H2
InChIKeyHIMZVIIAMFWVFY-UHFFFAOYSA-N
MW157.12 g/mol
LogP-1.73
Rot. Bonds3

About 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal

3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal (PubChem CID 174956648) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal.

Molecular Properties

Compound Name3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal
PubChem CID174956648
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal
SMILESO=CC(=O)C(=O)C1CNCO1
InChIInChI=1S/C6H7NO4/c8-2-4(9)6(10)5-1-7-3-11-5/h2,5,7H,1,3H2
InChIKeyHIMZVIIAMFWVFY-UHFFFAOYSA-N
XLogP-1.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(1,3-oxazolidin-5-yl)methanone
CID 174600635
N-methyl-2-(1,3-oxazolidin-5-yl)-2-oxoacetamide
CID 68541946
1,3-oxazolidine-5-carboxamide;hydrochloride
CID 162310916
2,3-dioxo-3-(1,3,5-trioxan-2-yl)propanal
CID 174724435
N-methyl-N-(1,3-oxazolidin-5-yl)-2-oxoacetamide
CID 87490559
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
sodium;3-(1,5-dichloro-1,3,5-triazinan-2-yl)-2,3-dioxopropanal;hydride
CID 174919713
2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
CID 23164285
(2R)-morpholine-2-carboxamide
CID 51600069
1-morpholin-2-ylbut-2-en-1-one
CID 70502586
ethane;1-morpholin-2-ylethanone
CID 143224838
ethane;morpholine-2-carboxylic acid
CID 170608685

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal?
The IUPAC name of 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal (CID 174956648) is 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal.
What is the SMILES notation for 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal?
The canonical SMILES for 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal is O=CC(=O)C(=O)C1CNCO1.
What is the InChIKey of 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal?
The InChIKey is HIMZVIIAMFWVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-2-4(9)6(10)5-1-7-3-11-5/h2,5,7H,1,3H2.
What are the key properties of 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal?
3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal has a molecular weight of 157.12 g/mol, XLogP of -1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal is sourced from PubChem (CID 174956648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).