1-prop-2-enyl-3,7-dihydropurine-2,6-dione

C8H8N4O2 — CID 14969716

IUPAC1-prop-2-enyl-3,7-dihydropurine-2,6-dione
SMILESC=CCn1c(=O)[nH]c2nc[nH]c2c1=O
InChIInChI=1S/C8H8N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h2,4H,1,3H2,(H,9,10)(H,11,14)
InChIKeyIPKIKTHDWDXHPU-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.40
Rot. Bonds2

About 1-prop-2-enyl-3,7-dihydropurine-2,6-dione

1-prop-2-enyl-3,7-dihydropurine-2,6-dione (PubChem CID 14969716) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-prop-2-enyl-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1-prop-2-enyl-3,7-dihydropurine-2,6-dione
PubChem CID14969716
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-prop-2-enyl-3,7-dihydropurine-2,6-dione
SMILESC=CCn1c(=O)[nH]c2nc[nH]c2c1=O
InChIInChI=1S/C8H8N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h2,4H,1,3H2,(H,9,10)(H,11,14)
InChIKeyIPKIKTHDWDXHPU-UHFFFAOYSA-N
XLogP-0.40
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
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 1-prop-2-enyl-3,7-dihydropurine-2,6-dione?
The IUPAC name of 1-prop-2-enyl-3,7-dihydropurine-2,6-dione (CID 14969716) is 1-prop-2-enyl-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 1-prop-2-enyl-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 1-prop-2-enyl-3,7-dihydropurine-2,6-dione is C=CCn1c(=O)[nH]c2nc[nH]c2c1=O.
What is the InChIKey of 1-prop-2-enyl-3,7-dihydropurine-2,6-dione?
The InChIKey is IPKIKTHDWDXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h2,4H,1,3H2,(H,9,10)(H,11,14).
What are the key properties of 1-prop-2-enyl-3,7-dihydropurine-2,6-dione?
1-prop-2-enyl-3,7-dihydropurine-2,6-dione has a molecular weight of 192.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 14969716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).