methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate

C11H19N3O3 — CID 79091180

IUPACmethyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate
SMILESCOC(=O)CC(C)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H19N3O3/c1-8(5-10(15)17-2)13-3-4-14-9(7-13)6-12-11(14)16/h8-9H,3-7H2,1-2H3,(H,12,16)
InChIKeyUSCMPWLPXDNFIA-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.35
Rot. Bonds3

About methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate

methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate (PubChem CID 79091180) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate
PubChem CID79091180
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate
SMILESCOC(=O)CC(C)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H19N3O3/c1-8(5-10(15)17-2)13-3-4-14-9(7-13)6-12-11(14)16/h8-9H,3-7H2,1-2H3,(H,12,16)
InChIKeyUSCMPWLPXDNFIA-UHFFFAOYSA-N
XLogP-0.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate?
The IUPAC name of methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate (CID 79091180) is methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate.
What is the SMILES notation for methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate?
The canonical SMILES for methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate is COC(=O)CC(C)N1CCN2C(=O)NCC2C1.
What is the InChIKey of methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate?
The InChIKey is USCMPWLPXDNFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(5-10(15)17-2)13-3-4-14-9(7-13)6-12-11(14)16/h8-9H,3-7H2,1-2H3,(H,12,16).
What are the key properties of methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate?
methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate has a molecular weight of 241.29 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate is sourced from PubChem (CID 79091180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).