7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C11H11N3O2 — CID 162457713

IUPAC7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C11H11N3O2/c15-8-2-1-7(5-8)14-4-3-9-10(14)12-6-13-11(9)16/h1-4,6-8,15H,5H2,(H,12,13,16)/t7-,8+/m0/s1
InChIKeyYKRZKOKEGOLOCI-JGVFFNPUSA-N
MW217.23 g/mol
LogP0.59
Rot. Bonds1

About 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 162457713) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID162457713
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C11H11N3O2/c15-8-2-1-7(5-8)14-4-3-9-10(14)12-6-13-11(9)16/h1-4,6-8,15H,5H2,(H,12,13,16)/t7-,8+/m0/s1
InChIKeyYKRZKOKEGOLOCI-JGVFFNPUSA-N
XLogP0.59
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 162457712
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918
7-[5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137159485
[3,4-diacetyloxy-5-(4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate
CID 135527153
7-(2,2,2-trifluoroethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138608380
7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 175735566
7-[3-[[[2-(tert-butylamino)quinolin-7-yl]amino]methyl]cyclopentyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;propane-2,2-diol
CID 178089005
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138608427
7-[(2R,3S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 171465940
9-(2,3,4-trihydroxycyclopentyl)-1H-purin-6-one;hydrate
CID 139665696
7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137035302

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 162457713) is 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1ccn2[C@H]1C=C[C@@H](O)C1.
What is the InChIKey of 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YKRZKOKEGOLOCI-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-8-2-1-7(5-8)14-4-3-9-10(14)12-6-13-11(9)16/h1-4,6-8,15H,5H2,(H,12,13,16)/t7-,8+/m0/s1.
What are the key properties of 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 217.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162457713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).