2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde

C7H11NO3 — CID 105430620

IUPAC2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
SMILESCC1(C)CC(=O)N(CC=O)O1
InChIInChI=1S/C7H11NO3/c1-7(2)5-6(10)8(11-7)3-4-9/h4H,3,5H2,1-2H3
InChIKeyONPXIPBVVZZUSD-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds2

About 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde

2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde (PubChem CID 105430620) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
PubChem CID105430620
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
SMILESCC1(C)CC(=O)N(CC=O)O1
InChIInChI=1S/C7H11NO3/c1-7(2)5-6(10)8(11-7)3-4-9/h4H,3,5H2,1-2H3
InChIKeyONPXIPBVVZZUSD-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde (CID 105430620) is 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde is CC1(C)CC(=O)N(CC=O)O1.
What is the InChIKey of 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The InChIKey is ONPXIPBVVZZUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)5-6(10)8(11-7)3-4-9/h4H,3,5H2,1-2H3.
What are the key properties of 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde has a molecular weight of 157.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde is sourced from PubChem (CID 105430620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).