2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]

C12H23N3 — CID 82394990

IUPAC2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]
SMILESCN1CC2CNCCN2C2(CCCC2)C1
InChIInChI=1S/C12H23N3/c1-14-9-11-8-13-6-7-15(11)12(10-14)4-2-3-5-12/h11,13H,2-10H2,1H3
InChIKeyLVYHHWWAMCLQSL-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.52
Rot. Bonds

About 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]

2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane] (PubChem CID 82394990) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane].

Molecular Properties

Compound Name2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]
PubChem CID82394990
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]
SMILESCN1CC2CNCCN2C2(CCCC2)C1
InChIInChI=1S/C12H23N3/c1-14-9-11-8-13-6-7-15(11)12(10-14)4-2-3-5-12/h11,13H,2-10H2,1H3
InChIKeyLVYHHWWAMCLQSL-UHFFFAOYSA-N
XLogP0.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]?
The IUPAC name of 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane] (CID 82394990) is 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane].
What is the SMILES notation for 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]?
The canonical SMILES for 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane] is CN1CC2CNCCN2C2(CCCC2)C1.
What is the InChIKey of 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]?
The InChIKey is LVYHHWWAMCLQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-9-11-8-13-6-7-15(11)12(10-14)4-2-3-5-12/h11,13H,2-10H2,1H3.
What are the key properties of 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane]?
2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane] has a molecular weight of 209.34 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-4,1'-cyclopentane] is sourced from PubChem (CID 82394990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).