9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one

C11H11FN4O2 — CID 135510354

IUPAC9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@H]1C=C(F)[C@@H](CO)C1
InChIInChI=1S/C11H11FN4O2/c12-8-2-7(1-6(8)3-17)16-5-15-9-10(16)13-4-14-11(9)18/h2,4-7,17H,1,3H2,(H,13,14,18)/t6-,7-/m1/s1
InChIKeyRLJBELLYIGTAHI-RNFRBKRXSA-N
MW250.23 g/mol
LogP0.53
Rot. Bonds2

About 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one

9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one (PubChem CID 135510354) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
PubChem CID135510354
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@H]1C=C(F)[C@@H](CO)C1
InChIInChI=1S/C11H11FN4O2/c12-8-2-7(1-6(8)3-17)16-5-15-9-10(16)13-4-14-11(9)18/h2,4-7,17H,1,3H2,(H,13,14,18)/t6-,7-/m1/s1
InChIKeyRLJBELLYIGTAHI-RNFRBKRXSA-N
XLogP0.53
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
9-[(1R,3S)-3-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-purin-6-one
CID 135949044
9-[4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135856505
9-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135508917
9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 136599044
9-[(2R,5S)-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
CID 135538743
9-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-1H-purin-6-one
CID 135511845
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
hydroxy-[[(1S,4R)-2-methyl-4-(6-oxo-1H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl]-dioxidophosphanium
CID 136790291
9-(2,3,4-trihydroxycyclopentyl)-1H-purin-6-one;hydrate
CID 139665696
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678

Frequently Asked Questions

What is the IUPAC name of 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
The IUPAC name of 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one (CID 135510354) is 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one.
What is the SMILES notation for 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
The canonical SMILES for 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one is O=c1[nH]cnc2c1ncn2[C@H]1C=C(F)[C@@H](CO)C1.
What is the InChIKey of 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
The InChIKey is RLJBELLYIGTAHI-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-8-2-7(1-6(8)3-17)16-5-15-9-10(16)13-4-14-11(9)18/h2,4-7,17H,1,3H2,(H,13,14,18)/t6-,7-/m1/s1.
What are the key properties of 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one has a molecular weight of 250.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one is sourced from PubChem (CID 135510354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).