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

C16H26N2O2 — CID 79929318

IUPAC2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1CCCC(N2CC(=O)N3CCCCC3C2=O)C1C
InChIInChI=1S/C16H26N2O2/c1-11-6-5-8-13(12(11)2)18-10-15(19)17-9-4-3-7-14(17)16(18)20/h11-14H,3-10H2,1-2H3
InChIKeyYAOQVEBVDQTWNN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds1

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

2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79929318) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79929318
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1CCCC(N2CC(=O)N3CCCCC3C2=O)C1C
InChIInChI=1S/C16H26N2O2/c1-11-6-5-8-13(12(11)2)18-10-15(19)17-9-4-3-7-14(17)16(18)20/h11-14H,3-10H2,1-2H3
InChIKeyYAOQVEBVDQTWNN-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

Analyze 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79929318) is 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1CCCC(N2CC(=O)N3CCCCC3C2=O)C1C.
What is the InChIKey of 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is YAOQVEBVDQTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-6-5-8-13(12(11)2)18-10-15(19)17-9-4-3-7-14(17)16(18)20/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(2,3-dimethylcyclohexyl)-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 2-(2,3-dimethylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79929318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).