(8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C10H14N2O2 — CID 67004023

IUPAC(8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CCN1CC(=O)N2CCC[C@H]2C1=O
InChIInChI=1S/C10H14N2O2/c1-2-5-11-7-9(13)12-6-3-4-8(12)10(11)14/h2,8H,1,3-7H2/t8-/m0/s1
InChIKeySKEMBQIYGZMNQG-QMMMGPOBSA-N
MW194.23 g/mol
LogP0.01
Rot. Bonds2

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

(8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 67004023) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID67004023
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CCN1CC(=O)N2CCC[C@H]2C1=O
InChIInChI=1S/C10H14N2O2/c1-2-5-11-7-9(13)12-6-3-4-8(12)10(11)14/h2,8H,1,3-7H2/t8-/m0/s1
InChIKeySKEMBQIYGZMNQG-QMMMGPOBSA-N
XLogP0.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.01
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 (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 67004023) is (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is C=CCN1CC(=O)N2CCC[C@H]2C1=O.
What is the InChIKey of (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is SKEMBQIYGZMNQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-5-11-7-9(13)12-6-3-4-8(12)10(11)14/h2,8H,1,3-7H2/t8-/m0/s1.
What are the key properties of (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 67004023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).