2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde

C6H10N2O3 — CID 87997984

IUPAC2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde
SMILESO=CC(O)C1NCCNC1=O
InChIInChI=1S/C6H10N2O3/c9-3-4(10)5-6(11)8-2-1-7-5/h3-5,7,10H,1-2H2,(H,8,11)
InChIKeyVKLRZLWPCNJHEB-UHFFFAOYSA-N
MW158.16 g/mol
LogP-2.37
Rot. Bonds2

About 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde

2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde (PubChem CID 87997984) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde
PubChem CID87997984
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde
SMILESO=CC(O)C1NCCNC1=O
InChIInChI=1S/C6H10N2O3/c9-3-4(10)5-6(11)8-2-1-7-5/h3-5,7,10H,1-2H2,(H,8,11)
InChIKeyVKLRZLWPCNJHEB-UHFFFAOYSA-N
XLogP-2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
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-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde?
The IUPAC name of 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde (CID 87997984) is 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde?
The canonical SMILES for 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde is O=CC(O)C1NCCNC1=O.
What is the InChIKey of 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde?
The InChIKey is VKLRZLWPCNJHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-3-4(10)5-6(11)8-2-1-7-5/h3-5,7,10H,1-2H2,(H,8,11).
What are the key properties of 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde?
2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde has a molecular weight of 158.16 g/mol, XLogP of -2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-oxopiperazin-2-yl)acetaldehyde is sourced from PubChem (CID 87997984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).