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

C12H19N3O2 — CID 75368409

IUPAC(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(C1CCCC1)N1CCN2C(=O)NC[C@H]2C1
InChIInChI=1S/C12H19N3O2/c16-11(9-3-1-2-4-9)14-5-6-15-10(8-14)7-13-12(15)17/h9-10H,1-8H2,(H,13,17)/t10-/m0/s1
InChIKeyBGOCOXGMXRCXOU-JTQLQIEISA-N
MW237.30 g/mol
LogP0.41
Rot. Bonds1

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

(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75368409) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75368409
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(C1CCCC1)N1CCN2C(=O)NC[C@H]2C1
InChIInChI=1S/C12H19N3O2/c16-11(9-3-1-2-4-9)14-5-6-15-10(8-14)7-13-12(15)17/h9-10H,1-8H2,(H,13,17)/t10-/m0/s1
InChIKeyBGOCOXGMXRCXOU-JTQLQIEISA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75368409) is (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C(C1CCCC1)N1CCN2C(=O)NC[C@H]2C1.
What is the InChIKey of (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BGOCOXGMXRCXOU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11(9-3-1-2-4-9)14-5-6-15-10(8-14)7-13-12(15)17/h9-10H,1-8H2,(H,13,17)/t10-/m0/s1.
What are the key properties of (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).