2-cyclooctyl-1H-pyrimidin-6-one

C12H18N2O — CID 80602338

IUPAC2-cyclooctyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCCCCC2)[nH]1
InChIInChI=1S/C12H18N2O/c15-11-8-9-13-12(14-11)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,13,14,15)
InChIKeyGQBHUQWGUSVKIM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.60
Rot. Bonds1

About 2-cyclooctyl-1H-pyrimidin-6-one

2-cyclooctyl-1H-pyrimidin-6-one (PubChem CID 80602338) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclooctyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclooctyl-1H-pyrimidin-6-one
PubChem CID80602338
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-cyclooctyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCCCCC2)[nH]1
InChIInChI=1S/C12H18N2O/c15-11-8-9-13-12(14-11)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,13,14,15)
InChIKeyGQBHUQWGUSVKIM-UHFFFAOYSA-N
XLogP2.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclooctyl-1H-pyrimidin-6-one (CID 80602338) is 2-cyclooctyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclooctyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclooctyl-1H-pyrimidin-6-one is O=c1ccnc(C2CCCCCCC2)[nH]1.
What is the InChIKey of 2-cyclooctyl-1H-pyrimidin-6-one?
The InChIKey is GQBHUQWGUSVKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-11-8-9-13-12(14-11)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,13,14,15).
What are the key properties of 2-cyclooctyl-1H-pyrimidin-6-one?
2-cyclooctyl-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80602338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).