(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde

C7H13NO2 — CID 144653716

IUPAC(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde
SMILESC[C@H]1OC(C)(C)NC1C=O
InChIInChI=1S/C7H13NO2/c1-5-6(4-9)8-7(2,3)10-5/h4-6,8H,1-3H3/t5-,6?/m1/s1
InChIKeyWYNFGSCAJRBNHD-LWOQYNTDSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

About (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde

(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde (PubChem CID 144653716) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde
PubChem CID144653716
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde
SMILESC[C@H]1OC(C)(C)NC1C=O
InChIInChI=1S/C7H13NO2/c1-5-6(4-9)8-7(2,3)10-5/h4-6,8H,1-3H3/t5-,6?/m1/s1
InChIKeyWYNFGSCAJRBNHD-LWOQYNTDSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
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 (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde (CID 144653716) is (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde is C[C@H]1OC(C)(C)NC1C=O.
What is the InChIKey of (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is WYNFGSCAJRBNHD-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-6(4-9)8-7(2,3)10-5/h4-6,8H,1-3H3/t5-,6?/m1/s1.
What are the key properties of (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde?
(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 144653716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).