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

C6H11NO2 — CID 174489448

IUPAC(4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC[C@H]1COC(C=O)N1
InChIInChI=1S/C6H11NO2/c1-2-5-4-9-6(3-8)7-5/h3,5-7H,2,4H2,1H3/t5-,6?/m0/s1
InChIKeyFZFAJBPSFCAXHC-ZBHICJROSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds2

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

(4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174489448) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174489448
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC[C@H]1COC(C=O)N1
InChIInChI=1S/C6H11NO2/c1-2-5-4-9-6(3-8)7-5/h3,5-7H,2,4H2,1H3/t5-,6?/m0/s1
InChIKeyFZFAJBPSFCAXHC-ZBHICJROSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
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 (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde (CID 174489448) is (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde is CC[C@H]1COC(C=O)N1.
What is the InChIKey of (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is FZFAJBPSFCAXHC-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-5-4-9-6(3-8)7-5/h3,5-7H,2,4H2,1H3/t5-,6?/m0/s1.
What are the key properties of (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde?
(4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174489448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).