ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate

C11H17N3O4 — CID 75376580

IUPACethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate
SMILESCCOC(=O)C(C)N1CCN2C(=O)NC(=O)C2C1
InChIInChI=1S/C11H17N3O4/c1-3-18-10(16)7(2)13-4-5-14-8(6-13)9(15)12-11(14)17/h7-8H,3-6H2,1-2H3,(H,12,15,17)
InChIKeyFAYHSVPGYIHYGO-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.83
Rot. Bonds3

About ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate

ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate (PubChem CID 75376580) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate
PubChem CID75376580
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate
SMILESCCOC(=O)C(C)N1CCN2C(=O)NC(=O)C2C1
InChIInChI=1S/C11H17N3O4/c1-3-18-10(16)7(2)13-4-5-14-8(6-13)9(15)12-11(14)17/h7-8H,3-6H2,1-2H3,(H,12,15,17)
InChIKeyFAYHSVPGYIHYGO-UHFFFAOYSA-N
XLogP-0.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate?
The IUPAC name of ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate (CID 75376580) is ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate.
What is the SMILES notation for ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate?
The canonical SMILES for ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate is CCOC(=O)C(C)N1CCN2C(=O)NC(=O)C2C1.
What is the InChIKey of ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate?
The InChIKey is FAYHSVPGYIHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-18-10(16)7(2)13-4-5-14-8(6-13)9(15)12-11(14)17/h7-8H,3-6H2,1-2H3,(H,12,15,17).
What are the key properties of ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate?
ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate has a molecular weight of 255.27 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate is sourced from PubChem (CID 75376580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).