2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal

C7H13NO3 — CID 174630978

IUPAC2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal
SMILESCC(C=O)C1COC(CO)N1
InChIInChI=1S/C7H13NO3/c1-5(2-9)6-4-11-7(3-10)8-6/h2,5-8,10H,3-4H2,1H3
InChIKeyZOVBSXANVZYOOK-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.87
Rot. Bonds3

About 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal

2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal (PubChem CID 174630978) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal
PubChem CID174630978
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal
SMILESCC(C=O)C1COC(CO)N1
InChIInChI=1S/C7H13NO3/c1-5(2-9)6-4-11-7(3-10)8-6/h2,5-8,10H,3-4H2,1H3
InChIKeyZOVBSXANVZYOOK-UHFFFAOYSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal?
The IUPAC name of 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal (CID 174630978) is 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal.
What is the SMILES notation for 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal?
The canonical SMILES for 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal is CC(C=O)C1COC(CO)N1.
What is the InChIKey of 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal?
The InChIKey is ZOVBSXANVZYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2-9)6-4-11-7(3-10)8-6/h2,5-8,10H,3-4H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal?
2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal has a molecular weight of 159.18 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal is sourced from PubChem (CID 174630978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).