[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate

C16H24N4O7 — CID 118525518

IUPAC[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(=O)N(OC(=O)N3CCOCC3)C(=O)C2C1
InChIInChI=1S/C16H24N4O7/c1-16(2,3)26-14(23)18-4-5-19-11(10-18)12(21)20(13(19)22)27-15(24)17-6-8-25-9-7-17/h11H,4-10H2,1-3H3
InChIKeyWZZNBFLSSRVBJY-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.25
Rot. Bonds1

About [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate

[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate (PubChem CID 118525518) has the molecular formula C16H24N4O7 and a molecular weight of 384.39 g/mol. Its IUPAC name is [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
PubChem CID118525518
Molecular FormulaC16H24N4O7
Molecular Weight384.39 g/mol
Exact Mass384.16
IUPAC Name[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(=O)N(OC(=O)N3CCOCC3)C(=O)C2C1
InChIInChI=1S/C16H24N4O7/c1-16(2,3)26-14(23)18-4-5-19-11(10-18)12(21)20(13(19)22)27-15(24)17-6-8-25-9-7-17/h11H,4-10H2,1-3H3
InChIKeyWZZNBFLSSRVBJY-UHFFFAOYSA-N
XLogP0.25
TPSA108.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
The IUPAC name of [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate (CID 118525518) is [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCN2C(=O)N(OC(=O)N3CCOCC3)C(=O)C2C1.
What is the InChIKey of [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
The InChIKey is WZZNBFLSSRVBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O7/c1-16(2,3)26-14(23)18-4-5-19-11(10-18)12(21)20(13(19)22)27-15(24)17-6-8-25-9-7-17/h11H,4-10H2,1-3H3.
What are the key properties of [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
[7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 118525518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).