3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C16H26N2O2 — CID 79932570

IUPAC3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1C1C(C)(C)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10-12(19)17-9-7-6-8-11(17)13(20)18(10)14-15(2,3)16(14,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyKFYAGEPVHZNCJB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds1

About 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932570) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932570
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1C1C(C)(C)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10-12(19)17-9-7-6-8-11(17)13(20)18(10)14-15(2,3)16(14,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyKFYAGEPVHZNCJB-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932884
3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916463
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
3-methyl-2-(thiolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103065099
2-cyclopropyl-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932805
2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 107604082
3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917136
2-(4-chlorophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932722
2-(4-iodophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932814
2-(2-methylcyclohexyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923539
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325711
2-(2-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944967

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932570) is 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1C(=O)N2CCCCC2C(=O)N1C1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is KFYAGEPVHZNCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10-12(19)17-9-7-6-8-11(17)13(20)18(10)14-15(2,3)16(14,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 278.40 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).