7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H17N3O2 — CID 79091658

IUPAC7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1CCCC1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H17N3O2/c15-10-3-1-2-9(10)13-4-5-14-8(7-13)6-12-11(14)16/h8-9H,1-7H2,(H,12,16)
InChIKeyIHXSMGJLYGRHAG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.18
Rot. Bonds1

About 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091658) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091658
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1CCCC1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H17N3O2/c15-10-3-1-2-9(10)13-4-5-14-8(7-13)6-12-11(14)16/h8-9H,1-7H2,(H,12,16)
InChIKeyIHXSMGJLYGRHAG-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091658) is 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1CCCC1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is IHXSMGJLYGRHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-3-1-2-9(10)13-4-5-14-8(7-13)6-12-11(14)16/h8-9H,1-7H2,(H,12,16).
What are the key properties of 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 223.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).