(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde

C7H13NO2 — CID 59040553

IUPAC(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
SMILESCN1[C@H](C=O)COC1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)8(3)6(4-9)5-10-7/h4,6H,5H2,1-3H3/t6-/m1/s1
InChIKeyTVFPWPIBMUXFPE-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

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

(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde (PubChem CID 59040553) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
PubChem CID59040553
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
SMILESCN1[C@H](C=O)COC1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)8(3)6(4-9)5-10-7/h4,6H,5H2,1-3H3/t6-/m1/s1
InChIKeyTVFPWPIBMUXFPE-ZCFIWIBFSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
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 (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde (CID 59040553) is (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde is CN1[C@H](C=O)COC1(C)C.
What is the InChIKey of (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is TVFPWPIBMUXFPE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)8(3)6(4-9)5-10-7/h4,6H,5H2,1-3H3/t6-/m1/s1.
What are the key properties of (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde?
(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 59040553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).