2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one

C12H10N2O2 — CID 123231189

IUPAC2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(/C2=C/C=C\C=C/C=C2)[nH]1
InChIInChI=1S/C12H10N2O2/c15-10-8-11(16)14-12(13-10)9-6-4-2-1-3-5-7-9/h1-8H,(H2,13,14,15,16)/b2-1-,3-1-,4-2-,5-3?,6-4-,7-5?,9-6+,9-7?
InChIKeyKWDUXUOWOPGCNV-VXQQKSTNSA-N
MW214.22 g/mol
LogP1.54
Rot. Bonds1

About 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 123231189) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID123231189
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(/C2=C/C=C\C=C/C=C2)[nH]1
InChIInChI=1S/C12H10N2O2/c15-10-8-11(16)14-12(13-10)9-6-4-2-1-3-5-7-9/h1-8H,(H2,13,14,15,16)/b2-1-,3-1-,4-2-,5-3?,6-4-,7-5?,9-6+,9-7?
InChIKeyKWDUXUOWOPGCNV-VXQQKSTNSA-N
XLogP1.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 123231189) is 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(/C2=C/C=C\C=C/C=C2)[nH]1.
What is the InChIKey of 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KWDUXUOWOPGCNV-VXQQKSTNSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-10-8-11(16)14-12(13-10)9-6-4-2-1-3-5-7-9/h1-8H,(H2,13,14,15,16)/b2-1-,3-1-,4-2-,5-3?,6-4-,7-5?,9-6+,9-7?.
What are the key properties of 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 123231189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).