1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea

C14H24N4O3 — CID 3786272

IUPAC1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN2C(=O)C(C(C)C)NC(=O)C12
InChIInChI=1S/C14H24N4O3/c1-7(2)10-13(20)18-6-5-9(11(18)12(19)17-10)16-14(21)15-8(3)4/h7-11H,5-6H2,1-4H3,(H,17,19)(H2,15,16,21)
InChIKeyGPJKRCZTZASLNL-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.18
Rot. Bonds3

About 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea

1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea (PubChem CID 3786272) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea
PubChem CID3786272
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN2C(=O)C(C(C)C)NC(=O)C12
InChIInChI=1S/C14H24N4O3/c1-7(2)10-13(20)18-6-5-9(11(18)12(19)17-10)16-14(21)15-8(3)4/h7-11H,5-6H2,1-4H3,(H,17,19)(H2,15,16,21)
InChIKeyGPJKRCZTZASLNL-UHFFFAOYSA-N
XLogP-0.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea (CID 3786272) is 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN2C(=O)C(C(C)C)NC(=O)C12.
What is the InChIKey of 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea?
The InChIKey is GPJKRCZTZASLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-7(2)10-13(20)18-6-5-9(11(18)12(19)17-10)16-14(21)15-8(3)4/h7-11H,5-6H2,1-4H3,(H,17,19)(H2,15,16,21).
What are the key properties of 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea?
1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea has a molecular weight of 296.37 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-3-propan-2-ylurea is sourced from PubChem (CID 3786272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).