1-(2-hydroxyacetyl)azetidine-3-carbaldehyde

C6H9NO3 — CID 87761960

IUPAC1-(2-hydroxyacetyl)azetidine-3-carbaldehyde
SMILESO=CC1CN(C(=O)CO)C1
InChIInChI=1S/C6H9NO3/c8-3-5-1-7(2-5)6(10)4-9/h3,5,9H,1-2,4H2
InChIKeyOODNSZROXHUOLS-UHFFFAOYSA-N
MW143.14 g/mol
LogP-1.36
Rot. Bonds2

About 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde

1-(2-hydroxyacetyl)azetidine-3-carbaldehyde (PubChem CID 87761960) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxyacetyl)azetidine-3-carbaldehyde
PubChem CID87761960
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1-(2-hydroxyacetyl)azetidine-3-carbaldehyde
SMILESO=CC1CN(C(=O)CO)C1
InChIInChI=1S/C6H9NO3/c8-3-5-1-7(2-5)6(10)4-9/h3,5,9H,1-2,4H2
InChIKeyOODNSZROXHUOLS-UHFFFAOYSA-N
XLogP-1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.36
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 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde?
The IUPAC name of 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde (CID 87761960) is 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde?
The canonical SMILES for 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde is O=CC1CN(C(=O)CO)C1.
What is the InChIKey of 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde?
The InChIKey is OODNSZROXHUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-3-5-1-7(2-5)6(10)4-9/h3,5,9H,1-2,4H2.
What are the key properties of 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde?
1-(2-hydroxyacetyl)azetidine-3-carbaldehyde has a molecular weight of 143.14 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyacetyl)azetidine-3-carbaldehyde is sourced from PubChem (CID 87761960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).