2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C13H23N3O2 — CID 113398970

IUPAC2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C1CNCCO1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H23N3O2/c1-10(12-8-14-4-7-18-12)15-5-6-16-11(9-15)2-3-13(16)17/h10-12,14H,2-9H2,1H3
InChIKeyHLGQYKSADNWYEY-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.33
Rot. Bonds2

About 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 113398970) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID113398970
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C1CNCCO1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H23N3O2/c1-10(12-8-14-4-7-18-12)15-5-6-16-11(9-15)2-3-13(16)17/h10-12,14H,2-9H2,1H3
InChIKeyHLGQYKSADNWYEY-UHFFFAOYSA-N
XLogP-0.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 113398970) is 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(C1CNCCO1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is HLGQYKSADNWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(12-8-14-4-7-18-12)15-5-6-16-11(9-15)2-3-13(16)17/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 253.35 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 113398970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).