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

C14H20N2O2 — CID 79944162

IUPAC2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCC2C(=O)N1C1CC=CCC1
InChIInChI=1S/C14H20N2O2/c1-10-13(17)15-9-5-8-12(15)14(18)16(10)11-6-3-2-4-7-11/h2-3,10-12H,4-9H2,1H3
InChIKeyMUWUSMIHOYKCTD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds1

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

2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944162) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944162
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCC2C(=O)N1C1CC=CCC1
InChIInChI=1S/C14H20N2O2/c1-10-13(17)15-9-5-8-12(15)14(18)16(10)11-6-3-2-4-7-11/h2-3,10-12H,4-9H2,1H3
InChIKeyMUWUSMIHOYKCTD-UHFFFAOYSA-N
XLogP1.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
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-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944162) is 2-cyclohex-3-en-1-yl-3-methyl-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-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC1C(=O)N2CCCC2C(=O)N1C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is MUWUSMIHOYKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-13(17)15-9-5-8-12(15)14(18)16(10)11-6-3-2-4-7-11/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-cyclohex-3-en-1-yl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 248.33 g/mol, XLogP of 1.32, 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-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).