3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C16H20N2O2 — CID 79944384

IUPAC3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCCN1C(=O)C2CCCN2C(=O)C1c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-10-18-14(12-7-4-3-5-8-12)16(20)17-11-6-9-13(17)15(18)19/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyGCGQPYMHXWAGIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.97
Rot. Bonds3

About 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944384) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944384
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCCN1C(=O)C2CCCN2C(=O)C1c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-10-18-14(12-7-4-3-5-8-12)16(20)17-11-6-9-13(17)15(18)19/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyGCGQPYMHXWAGIQ-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944384) is 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCCN1C(=O)C2CCCN2C(=O)C1c1ccccc1.
What is the InChIKey of 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is GCGQPYMHXWAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-10-18-14(12-7-4-3-5-8-12)16(20)17-11-6-9-13(17)15(18)19/h3-5,7-8,13-14H,2,6,9-11H2,1H3.
What are the key properties of 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 272.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).