2-(7H-purin-8-yl)acetaldehyde

C7H6N4O — CID 54084471

IUPAC2-(7H-purin-8-yl)acetaldehyde
SMILESO=CCc1nc2ncncc2[nH]1
InChIInChI=1S/C7H6N4O/c12-2-1-6-10-5-3-8-4-9-7(5)11-6/h2-4H,1H2,(H,8,9,10,11)
InChIKeyDAPQEPFCJYHPCO-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.09
Rot. Bonds2

About 2-(7H-purin-8-yl)acetaldehyde

2-(7H-purin-8-yl)acetaldehyde (PubChem CID 54084471) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-(7H-purin-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7H-purin-8-yl)acetaldehyde
PubChem CID54084471
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-(7H-purin-8-yl)acetaldehyde
SMILESO=CCc1nc2ncncc2[nH]1
InChIInChI=1S/C7H6N4O/c12-2-1-6-10-5-3-8-4-9-7(5)11-6/h2-4H,1H2,(H,8,9,10,11)
InChIKeyDAPQEPFCJYHPCO-UHFFFAOYSA-N
XLogP0.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.09
H-Bond Donors ≤ 51
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-(7H-purin-8-yl)acetaldehyde?
The IUPAC name of 2-(7H-purin-8-yl)acetaldehyde (CID 54084471) is 2-(7H-purin-8-yl)acetaldehyde.
What is the SMILES notation for 2-(7H-purin-8-yl)acetaldehyde?
The canonical SMILES for 2-(7H-purin-8-yl)acetaldehyde is O=CCc1nc2ncncc2[nH]1.
What is the InChIKey of 2-(7H-purin-8-yl)acetaldehyde?
The InChIKey is DAPQEPFCJYHPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-2-1-6-10-5-3-8-4-9-7(5)11-6/h2-4H,1H2,(H,8,9,10,11).
What are the key properties of 2-(7H-purin-8-yl)acetaldehyde?
2-(7H-purin-8-yl)acetaldehyde has a molecular weight of 162.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-8-yl)acetaldehyde is sourced from PubChem (CID 54084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).