1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

C8H10N2O3 — CID 10035252

IUPAC1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)CN2C(=O)CCC21
InChIInChI=1S/C8H10N2O3/c1-5(11)10-6-2-3-7(12)9(6)4-8(10)13/h6H,2-4H2,1H3
InChIKeyYHNQFEIGUHYUHM-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.68
Rot. Bonds

About 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 10035252) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID10035252
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)CN2C(=O)CCC21
InChIInChI=1S/C8H10N2O3/c1-5(11)10-6-2-3-7(12)9(6)4-8(10)13/h6H,2-4H2,1H3
InChIKeyYHNQFEIGUHYUHM-UHFFFAOYSA-N
XLogP-0.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 10035252) is 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is CC(=O)N1C(=O)CN2C(=O)CCC21.
What is the InChIKey of 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is YHNQFEIGUHYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(11)10-6-2-3-7(12)9(6)4-8(10)13/h6H,2-4H2,1H3.
What are the key properties of 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 10035252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).