2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione

C6H8N2O2 — CID 154483696

IUPAC2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione
SMILESO=C1CCN2C(=O)NCC12
InChIInChI=1S/C6H8N2O2/c9-5-1-2-8-4(5)3-7-6(8)10/h4H,1-3H2,(H,7,10)
InChIKeyLJXAJAQASZWYSX-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.65
Rot. Bonds

About 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione

2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione (PubChem CID 154483696) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione.

Molecular Properties

Compound Name2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione
PubChem CID154483696
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione
SMILESO=C1CCN2C(=O)NCC12
InChIInChI=1S/C6H8N2O2/c9-5-1-2-8-4(5)3-7-6(8)10/h4H,1-3H2,(H,7,10)
InChIKeyLJXAJAQASZWYSX-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione?
The IUPAC name of 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione (CID 154483696) is 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione.
What is the SMILES notation for 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione?
The canonical SMILES for 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione is O=C1CCN2C(=O)NCC12.
What is the InChIKey of 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione?
The InChIKey is LJXAJAQASZWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-5-1-2-8-4(5)3-7-6(8)10/h4H,1-3H2,(H,7,10).
What are the key properties of 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione?
2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione has a molecular weight of 140.14 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione is sourced from PubChem (CID 154483696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).