3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione

C9H14N2O2 — CID 18338737

IUPAC3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
SMILESCC1CN2C(=O)CCCC2C(=O)N1
InChIInChI=1S/C9H14N2O2/c1-6-5-11-7(9(13)10-6)3-2-4-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)
InChIKeyDXCCZBDYIPNVFO-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.11
Rot. Bonds

About 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione

3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 18338737) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
PubChem CID18338737
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
SMILESCC1CN2C(=O)CCCC2C(=O)N1
InChIInChI=1S/C9H14N2O2/c1-6-5-11-7(9(13)10-6)3-2-4-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)
InChIKeyDXCCZBDYIPNVFO-UHFFFAOYSA-N
XLogP-0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione (CID 18338737) is 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione is CC1CN2C(=O)CCCC2C(=O)N1.
What is the InChIKey of 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is DXCCZBDYIPNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-11-7(9(13)10-6)3-2-4-8(11)12/h6-7H,2-5H2,1H3,(H,10,13).
What are the key properties of 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 182.22 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 18338737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).