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

C8H12N2O2 — CID 10352076

IUPAC1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCCN1C(=O)CN2C(=O)CCC12
InChIInChI=1S/C8H12N2O2/c1-2-9-6-3-4-7(11)10(6)5-8(9)12/h6H,2-5H2,1H3
InChIKeyBVTHUHGMOKWKAW-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.20
Rot. Bonds1

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

1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 10352076) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID10352076
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCCN1C(=O)CN2C(=O)CCC12
InChIInChI=1S/C8H12N2O2/c1-2-9-6-3-4-7(11)10(6)5-8(9)12/h6H,2-5H2,1H3
InChIKeyBVTHUHGMOKWKAW-UHFFFAOYSA-N
XLogP-0.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimiracetam
CID 65955
1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-7a-methyl-
CID 3079590
1H-Pyrrolo(1,2-a)imidazole-1-acetamide, hexahydro-2,5-dioxo-
CID 3079591
Dimiracetam, (R)-
CID 54488316
3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
CID 10103355
3,7a-Dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 10241188
(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
CID 10464529
Dimiracetam, (S)-
CID 54488315
1,1'-Ethylidenedi-2-pyrrolidinone
CID 13379697
1-Acetyldihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-dione
CID 10035252
(7aS)-3-(dimethylamino)-2-hexyl-3,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,5-dione
CID 156014015
1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
CID 155936408

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 10352076) is 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is CCN1C(=O)CN2C(=O)CCC12.
What is the InChIKey of 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is BVTHUHGMOKWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-9-6-3-4-7(11)10(6)5-8(9)12/h6H,2-5H2,1H3.
What are the key properties of 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 10352076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).