ethane;(2S)-1,3-oxazolidine-2-carbaldehyde

C6H13NO2 — CID 142393598

IUPACethane;(2S)-1,3-oxazolidine-2-carbaldehyde
SMILESCC.O=C[C@H]1NCCO1
InChIInChI=1S/C4H7NO2.C2H6/c6-3-4-5-1-2-7-4;1-2/h3-5H,1-2H2;1-2H3/t4-;/m0./s1
InChIKeyRMKQKCKRTXRDOX-WCCKRBBISA-N
MW131.17 g/mol
LogP0.16
Rot. Bonds1

About ethane;(2S)-1,3-oxazolidine-2-carbaldehyde

ethane;(2S)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 142393598) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is ethane;(2S)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Nameethane;(2S)-1,3-oxazolidine-2-carbaldehyde
PubChem CID142393598
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Nameethane;(2S)-1,3-oxazolidine-2-carbaldehyde
SMILESCC.O=C[C@H]1NCCO1
InChIInChI=1S/C4H7NO2.C2H6/c6-3-4-5-1-2-7-4;1-2/h3-5H,1-2H2;1-2H3/t4-;/m0./s1
InChIKeyRMKQKCKRTXRDOX-WCCKRBBISA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.16
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 ethane;(2S)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of ethane;(2S)-1,3-oxazolidine-2-carbaldehyde (CID 142393598) is ethane;(2S)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for ethane;(2S)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for ethane;(2S)-1,3-oxazolidine-2-carbaldehyde is CC.O=C[C@H]1NCCO1.
What is the InChIKey of ethane;(2S)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is RMKQKCKRTXRDOX-WCCKRBBISA-N. The full InChI is InChI=1S/C4H7NO2.C2H6/c6-3-4-5-1-2-7-4;1-2/h3-5H,1-2H2;1-2H3/t4-;/m0./s1.
What are the key properties of ethane;(2S)-1,3-oxazolidine-2-carbaldehyde?
ethane;(2S)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 131.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 142393598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).