2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C13H18N2O2 — CID 79944163

IUPAC2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1C1CC=CCC1
InChIInChI=1S/C13H18N2O2/c16-12-9-15(10-5-2-1-3-6-10)13(17)11-7-4-8-14(11)12/h1-2,10-11H,3-9H2
InChIKeyNHTFYYBUFVIJDQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.93
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944163) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944163
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1C1CC=CCC1
InChIInChI=1S/C13H18N2O2/c16-12-9-15(10-5-2-1-3-6-10)13(17)11-7-4-8-14(11)12/h1-2,10-11H,3-9H2
InChIKeyNHTFYYBUFVIJDQ-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944163) is 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1C2CCCN2C(=O)CN1C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is NHTFYYBUFVIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-9-15(10-5-2-1-3-6-10)13(17)11-7-4-8-14(11)12/h1-2,10-11H,3-9H2.
What are the key properties of 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 234.30 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).