2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal

C8H13NO3 — CID 87093982

IUPAC2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
SMILESCC(C)(C=O)CN1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,6-10)5-9-3-4-12-7(9)11/h6H,3-5H2,1-2H3
InChIKeySWRKXVQAJBYRHW-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.66
Rot. Bonds3

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

2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal (PubChem CID 87093982) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
PubChem CID87093982
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
SMILESCC(C)(C=O)CN1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,6-10)5-9-3-4-12-7(9)11/h6H,3-5H2,1-2H3
InChIKeySWRKXVQAJBYRHW-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Oxo-1,3-oxazolidin-3-yl)propanal
CID 11615183
3-(2,2-Dimethylpropanoyl)-1,3-oxazolidin-2-one
CID 9989671
N,N-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 145884688
2-Tert-butyl-5-oxo-1,3-oxazolidine-3-carbaldehyde
CID 2794074
3-(2,2-Dimethylpropyl)-1,3-oxazolidin-2-one
CID 20450595
2,2-Dimethyl-1-(1,3-oxazolidin-3-yl)propan-1-one
CID 68250795
3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal
CID 88690546
(2S)-2-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)butanal
CID 137474263
(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde
CID 142149741
Tert-butyl 2-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 149857620
methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate
CID 11790590
Methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 79629755

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal (CID 87093982) is 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal is CC(C)(C=O)CN1CCOC1=O.
What is the InChIKey of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
The InChIKey is SWRKXVQAJBYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,6-10)5-9-3-4-12-7(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal has a molecular weight of 171.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal is sourced from PubChem (CID 87093982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).