2-(6-chloropurin-9-yl)cyclopentan-1-one

C10H9ClN4O — CID 166437478

IUPAC2-(6-chloropurin-9-yl)cyclopentan-1-one
SMILESO=C1CCCC1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-2-1-3-7(6)16/h4-6H,1-3H2
InChIKeyRRLGPXNVQHGGJU-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.77
Rot. Bonds1

About 2-(6-chloropurin-9-yl)cyclopentan-1-one

2-(6-chloropurin-9-yl)cyclopentan-1-one (PubChem CID 166437478) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(6-chloropurin-9-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(6-chloropurin-9-yl)cyclopentan-1-one
PubChem CID166437478
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-(6-chloropurin-9-yl)cyclopentan-1-one
SMILESO=C1CCCC1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-2-1-3-7(6)16/h4-6H,1-3H2
InChIKeyRRLGPXNVQHGGJU-UHFFFAOYSA-N
XLogP1.77
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
methyl (2S)-2-(6-chloropurin-9-yl)pyrrolidine-1-carboxylate
CID 102262951
methyl 2-(6-chloropurin-9-yl)pyrrolidine-1-carboxylate
CID 46899515
methyl (2R)-2-(6-chloropurin-9-yl)pyrrolidine-1-carboxylate
CID 102262952
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
CID 102417514
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
CID 10468389

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropurin-9-yl)cyclopentan-1-one?
The IUPAC name of 2-(6-chloropurin-9-yl)cyclopentan-1-one (CID 166437478) is 2-(6-chloropurin-9-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(6-chloropurin-9-yl)cyclopentan-1-one?
The canonical SMILES for 2-(6-chloropurin-9-yl)cyclopentan-1-one is O=C1CCCC1n1cnc2c(Cl)ncnc21.
What is the InChIKey of 2-(6-chloropurin-9-yl)cyclopentan-1-one?
The InChIKey is RRLGPXNVQHGGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-2-1-3-7(6)16/h4-6H,1-3H2.
What are the key properties of 2-(6-chloropurin-9-yl)cyclopentan-1-one?
2-(6-chloropurin-9-yl)cyclopentan-1-one has a molecular weight of 236.66 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropurin-9-yl)cyclopentan-1-one is sourced from PubChem (CID 166437478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).