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

C16H28N2O2 — CID 106329116

IUPAC2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCC(C)(CC)N1C(=O)C2CCCN2C(=O)C1C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-16(5,7-2)18-13(11(3)4)15(20)17-10-8-9-12(17)14(18)19/h11-13H,6-10H2,1-5H3
InChIKeyOUAKEMCWXPEKEJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.42
Rot. Bonds4

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

2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 106329116) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID106329116
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCC(C)(CC)N1C(=O)C2CCCN2C(=O)C1C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-16(5,7-2)18-13(11(3)4)15(20)17-10-8-9-12(17)14(18)19/h11-13H,6-10H2,1-5H3
InChIKeyOUAKEMCWXPEKEJ-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 106329116) is 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCC(C)(CC)N1C(=O)C2CCCN2C(=O)C1C(C)C.
What is the InChIKey of 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is OUAKEMCWXPEKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-16(5,7-2)18-13(11(3)4)15(20)17-10-8-9-12(17)14(18)19/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 280.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 106329116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).