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

C8H12N2O2 — CID 10241188

IUPAC3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC1C(=O)NC2(C)CCC(=O)N12
InChIInChI=1S/C8H12N2O2/c1-5-7(12)9-8(2)4-3-6(11)10(5)8/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyMHLSDODDWJCESD-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.16
Rot. Bonds

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

3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 10241188) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID10241188
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC1C(=O)NC2(C)CCC(=O)N12
InChIInChI=1S/C8H12N2O2/c1-5-7(12)9-8(2)4-3-6(11)10(5)8/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyMHLSDODDWJCESD-UHFFFAOYSA-N
XLogP-0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 10241188) is 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is CC1C(=O)NC2(C)CCC(=O)N12.
What is the InChIKey of 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is MHLSDODDWJCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(12)9-8(2)4-3-6(11)10(5)8/h5H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 10241188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).