2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C17H20N2O2 — CID 79924395

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1c1cccc2c1CCCC2
InChIInChI=1S/C17H20N2O2/c20-16-11-19(17(21)15-9-4-10-18(15)16)14-8-3-6-12-5-1-2-7-13(12)14/h3,6,8,15H,1-2,4-5,7,9-11H2
InChIKeySIFZRFSQZAXKGK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.90
Rot. Bonds1

About 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79924395) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79924395
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1c1cccc2c1CCCC2
InChIInChI=1S/C17H20N2O2/c20-16-11-19(17(21)15-9-4-10-18(15)16)14-8-3-6-12-5-1-2-7-13(12)14/h3,6,8,15H,1-2,4-5,7,9-11H2
InChIKeySIFZRFSQZAXKGK-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944835
2-(2-fluorophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944245
2-(2-iodophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944474
2-(2-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79930292
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
CID 64957081
2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79945107
8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 55105948
2-(2,6-difluorophenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944389
2-(2,5-dichlorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929847
(3S)-1,7-diazapentacyclo[11.7.1.03,7.09,21.014,19]henicosa-9,11,13(21),14,16,18-hexaene-2,8-dione
CID 11738255
2-(2-fluoro-4-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79928985

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79924395) is 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1C2CCCN2C(=O)CN1c1cccc2c1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is SIFZRFSQZAXKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-11-19(17(21)15-9-4-10-18(15)16)14-8-3-6-12-5-1-2-7-13(12)14/h3,6,8,15H,1-2,4-5,7,9-11H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 284.36 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79924395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).