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

C10H16N2O2 — CID 139053875

IUPAC(3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C
InChIInChI=1S/C10H16N2O2/c1-7-9(13)12-6-4-3-5-8(12)10(14)11(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyUHUSFUDZKMFTJX-YUMQZZPRSA-N
MW196.25 g/mol
LogP0.23
Rot. Bonds

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

(3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 139053875) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID139053875
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C
InChIInChI=1S/C10H16N2O2/c1-7-9(13)12-6-4-3-5-8(12)10(14)11(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyUHUSFUDZKMFTJX-YUMQZZPRSA-N
XLogP0.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 139053875) is (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C.
What is the InChIKey of (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is UHUSFUDZKMFTJX-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-9(13)12-6-4-3-5-8(12)10(14)11(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
(3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9aS)-2,3-dimethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 139053875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).