4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol

C10H9ClN4O — CID 10999010

IUPAC4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
SMILESOC1C=CC(n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2
InChIKeyKNHDEYXHYZZUNG-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.34
Rot. Bonds1

About 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol

4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol (PubChem CID 10999010) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
PubChem CID10999010
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
SMILESOC1C=CC(n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2
InChIKeyKNHDEYXHYZZUNG-UHFFFAOYSA-N
XLogP1.34
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine
CID 10757082
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
6-(chloromethyl)-3-(6-chloropurin-9-yl)bicyclo[2.2.1]hept-5-en-2-ol
CID 25123037
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol?
The IUPAC name of 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol (CID 10999010) is 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol?
The canonical SMILES for 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol is OC1C=CC(n2cnc3c(Cl)ncnc32)C1.
What is the InChIKey of 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol?
The InChIKey is KNHDEYXHYZZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2.
What are the key properties of 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol?
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol has a molecular weight of 236.66 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 10999010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).