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

C13H20N2O2 — CID 79944639

IUPAC3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCC2C(=O)N1C1CC1C
InChIInChI=1S/C13H20N2O2/c1-3-9-12(16)14-6-4-5-10(14)13(17)15(9)11-7-8(11)2/h8-11H,3-7H2,1-2H3
InChIKeyCCOZKVKQUKXQJN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds2

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

3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944639) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944639
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCC2C(=O)N1C1CC1C
InChIInChI=1S/C13H20N2O2/c1-3-9-12(16)14-6-4-5-10(14)13(17)15(9)11-7-8(11)2/h8-11H,3-7H2,1-2H3
InChIKeyCCOZKVKQUKXQJN-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944639) is 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCC2C(=O)N1C1CC1C.
What is the InChIKey of 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is CCOZKVKQUKXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-9-12(16)14-6-4-5-10(14)13(17)15(9)11-7-8(11)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 236.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).