2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C12H21N3O2 — CID 79940879

IUPAC2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)NCCN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C12H21N3O2/c1-9(2)13-5-7-14-8-11(16)15-6-3-4-10(15)12(14)17/h9-10,13H,3-8H2,1-2H3
InChIKeyCLGXFTZPSHYXHU-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds4

About 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79940879) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79940879
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)NCCN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C12H21N3O2/c1-9(2)13-5-7-14-8-11(16)15-6-3-4-10(15)12(14)17/h9-10,13H,3-8H2,1-2H3
InChIKeyCLGXFTZPSHYXHU-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79940879) is 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)NCCN1CC(=O)N2CCCC2C1=O.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is CLGXFTZPSHYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)13-5-7-14-8-11(16)15-6-3-4-10(15)12(14)17/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 239.32 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79940879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).