2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one

C11H16N2O — CID 65407142

IUPAC2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
SMILESCCC1CCC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C11H16N2O/c1-2-8-3-4-9(7-8)11-12-6-5-10(14)13-11/h5-6,8-9H,2-4,7H2,1H3,(H,12,13,14)
InChIKeyXGPPUPZFKHVZMB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.06
Rot. Bonds2

About 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one

2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 65407142) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID65407142
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
SMILESCCC1CCC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C11H16N2O/c1-2-8-3-4-9(7-8)11-12-6-5-10(14)13-11/h5-6,8-9H,2-4,7H2,1H3,(H,12,13,14)
InChIKeyXGPPUPZFKHVZMB-UHFFFAOYSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one (CID 65407142) is 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one is CCC1CCC(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is XGPPUPZFKHVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-8-3-4-9(7-8)11-12-6-5-10(14)13-11/h5-6,8-9H,2-4,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one?
2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).