6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one

C11H14N4O — CID 10921968

IUPAC6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one
SMILESCC(C)=CCCc1[nH]c(=O)nc2nc[nH]c12
InChIInChI=1S/C11H14N4O/c1-7(2)4-3-5-8-9-10(13-6-12-9)15-11(16)14-8/h4,6H,3,5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyHOVCTWZRUBHMCI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds3

About 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one

6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one (PubChem CID 10921968) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one
PubChem CID10921968
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one
SMILESCC(C)=CCCc1[nH]c(=O)nc2nc[nH]c12
InChIInChI=1S/C11H14N4O/c1-7(2)4-3-5-8-9-10(13-6-12-9)15-11(16)14-8/h4,6H,3,5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyHOVCTWZRUBHMCI-UHFFFAOYSA-N
XLogP1.54
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one?
The IUPAC name of 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one (CID 10921968) is 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one?
The canonical SMILES for 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one is CC(C)=CCCc1[nH]c(=O)nc2nc[nH]c12.
What is the InChIKey of 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one?
The InChIKey is HOVCTWZRUBHMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)4-3-5-8-9-10(13-6-12-9)15-11(16)14-8/h4,6H,3,5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one?
6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpent-3-enyl)-1,7-dihydropurin-2-one is sourced from PubChem (CID 10921968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).