9-prop-2-enylpurine

C8H8N4 — CID 66898867

IUPAC9-prop-2-enylpurine
SMILESC=CCn1cnc2cncnc21
InChIInChI=1S/C8H8N4/c1-2-3-12-6-11-7-4-9-5-10-8(7)12/h2,4-6H,1,3H2
InChIKeyPTFFSCNJSOGUCW-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.01
Rot. Bonds2

About 9-prop-2-enylpurine

9-prop-2-enylpurine (PubChem CID 66898867) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 9-prop-2-enylpurine.

Molecular Properties

Compound Name9-prop-2-enylpurine
PubChem CID66898867
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name9-prop-2-enylpurine
SMILESC=CCn1cnc2cncnc21
InChIInChI=1S/C8H8N4/c1-2-3-12-6-11-7-4-9-5-10-8(7)12/h2,4-6H,1,3H2
InChIKeyPTFFSCNJSOGUCW-UHFFFAOYSA-N
XLogP1.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enylpurine?
The IUPAC name of 9-prop-2-enylpurine (CID 66898867) is 9-prop-2-enylpurine.
What is the SMILES notation for 9-prop-2-enylpurine?
The canonical SMILES for 9-prop-2-enylpurine is C=CCn1cnc2cncnc21.
What is the InChIKey of 9-prop-2-enylpurine?
The InChIKey is PTFFSCNJSOGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-3-12-6-11-7-4-9-5-10-8(7)12/h2,4-6H,1,3H2.
What are the key properties of 9-prop-2-enylpurine?
9-prop-2-enylpurine has a molecular weight of 160.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enylpurine is sourced from PubChem (CID 66898867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).