2-methyl-1,3-oxazolidine-2-carbaldehyde

C5H9NO2 — CID 174314904

IUPAC2-methyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC1(C=O)NCCO1
InChIInChI=1S/C5H9NO2/c1-5(4-7)6-2-3-8-5/h4,6H,2-3H2,1H3
InChIKeySXOPJRZRSZULSK-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About 2-methyl-1,3-oxazolidine-2-carbaldehyde

2-methyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174314904) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-methyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174314904
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-methyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC1(C=O)NCCO1
InChIInChI=1S/C5H9NO2/c1-5(4-7)6-2-3-8-5/h4,6H,2-3H2,1H3
InChIKeySXOPJRZRSZULSK-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
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 2-methyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 2-methyl-1,3-oxazolidine-2-carbaldehyde (CID 174314904) is 2-methyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 2-methyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 2-methyl-1,3-oxazolidine-2-carbaldehyde is CC1(C=O)NCCO1.
What is the InChIKey of 2-methyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is SXOPJRZRSZULSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(4-7)6-2-3-8-5/h4,6H,2-3H2,1H3.
What are the key properties of 2-methyl-1,3-oxazolidine-2-carbaldehyde?
2-methyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174314904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).