2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C16H23N3O3 — CID 91919757

IUPAC2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)CN1C(=O)c2cccn2CC1C(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-12(2)10-19-14(15(20)17-6-8-22-9-7-17)11-18-5-3-4-13(18)16(19)21/h3-5,12,14H,6-11H2,1-2H3
InChIKeyVBSQBWQAUJVFTF-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.83
Rot. Bonds3

About 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 91919757) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID91919757
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)CN1C(=O)c2cccn2CC1C(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-12(2)10-19-14(15(20)17-6-8-22-9-7-17)11-18-5-3-4-13(18)16(19)21/h3-5,12,14H,6-11H2,1-2H3
InChIKeyVBSQBWQAUJVFTF-UHFFFAOYSA-N
XLogP0.83
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 91919757) is 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is CC(C)CN1C(=O)c2cccn2CC1C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is VBSQBWQAUJVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)10-19-14(15(20)17-6-8-22-9-7-17)11-18-5-3-4-13(18)16(19)21/h3-5,12,14H,6-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 305.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 91919757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).