(6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

C10H14N2O2 — CID 91550570

IUPAC(6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC=C[C@@H]1CC[C@H]2C(=O)NCC(=O)N12
InChIInChI=1S/C10H14N2O2/c1-2-3-7-4-5-8-10(14)11-6-9(13)12(7)8/h2-3,7-8H,4-6H2,1H3,(H,11,14)/t7-,8+/m1/s1
InChIKeyUXGVHJZMGZHUFD-SFYZADRCSA-N
MW194.23 g/mol
LogP0.05
Rot. Bonds1

About (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 91550570) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID91550570
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC=C[C@@H]1CC[C@H]2C(=O)NCC(=O)N12
InChIInChI=1S/C10H14N2O2/c1-2-3-7-4-5-8-10(14)11-6-9(13)12(7)8/h2-3,7-8H,4-6H2,1H3,(H,11,14)/t7-,8+/m1/s1
InChIKeyUXGVHJZMGZHUFD-SFYZADRCSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
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 (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 91550570) is (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is CC=C[C@@H]1CC[C@H]2C(=O)NCC(=O)N12.
What is the InChIKey of (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is UXGVHJZMGZHUFD-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-7-4-5-8-10(14)11-6-9(13)12(7)8/h2-3,7-8H,4-6H2,1H3,(H,11,14)/t7-,8+/m1/s1.
What are the key properties of (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aS)-6-prop-1-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 91550570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).