(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C14H23N3O2 — CID 95124514

IUPAC(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCC/C=C/CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1
InChIInChI=1S/C14H23N3O2/c1-3-4-5-6-7-16-8-9-17-12(10-16)14(19)15(2)11-13(17)18/h5-6,12H,3-4,7-11H2,1-2H3/b6-5+/t12-/m1/s1
InChIKeyIFCUZUKZCLBXCS-BTDICHCPSA-N
MW265.36 g/mol
LogP0.33
Rot. Bonds4

About (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95124514) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95124514
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCC/C=C/CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1
InChIInChI=1S/C14H23N3O2/c1-3-4-5-6-7-16-8-9-17-12(10-16)14(19)15(2)11-13(17)18/h5-6,12H,3-4,7-11H2,1-2H3/b6-5+/t12-/m1/s1
InChIKeyIFCUZUKZCLBXCS-BTDICHCPSA-N
XLogP0.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 95124514) is (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CCC/C=C/CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1.
What is the InChIKey of (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is IFCUZUKZCLBXCS-BTDICHCPSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-5-6-7-16-8-9-17-12(10-16)14(19)15(2)11-13(17)18/h5-6,12H,3-4,7-11H2,1-2H3/b6-5+/t12-/m1/s1.
What are the key properties of (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 265.36 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95124514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).