6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one

C11H14N4O2 — CID 11139045

IUPAC6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one
SMILESC/C(=C\CCc1[nH]c(=O)nc2nc[nH]c12)CO
InChIInChI=1S/C11H14N4O2/c1-7(5-16)3-2-4-8-9-10(13-6-12-9)15-11(17)14-8/h3,6,16H,2,4-5H2,1H3,(H2,12,13,14,15,17)/b7-3+
InChIKeyYINYZVNJQHVAEV-XVNBXDOJSA-N
MW234.26 g/mol
LogP0.52
Rot. Bonds4

About 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one

6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one (PubChem CID 11139045) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one
PubChem CID11139045
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one
SMILESC/C(=C\CCc1[nH]c(=O)nc2nc[nH]c12)CO
InChIInChI=1S/C11H14N4O2/c1-7(5-16)3-2-4-8-9-10(13-6-12-9)15-11(17)14-8/h3,6,16H,2,4-5H2,1H3,(H2,12,13,14,15,17)/b7-3+
InChIKeyYINYZVNJQHVAEV-XVNBXDOJSA-N
XLogP0.52
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one?
The IUPAC name of 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one (CID 11139045) is 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one?
The canonical SMILES for 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one is C/C(=C\CCc1[nH]c(=O)nc2nc[nH]c12)CO.
What is the InChIKey of 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one?
The InChIKey is YINYZVNJQHVAEV-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(5-16)3-2-4-8-9-10(13-6-12-9)15-11(17)14-8/h3,6,16H,2,4-5H2,1H3,(H2,12,13,14,15,17)/b7-3+.
What are the key properties of 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one?
6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,7-dihydropurin-2-one is sourced from PubChem (CID 11139045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).