2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide

C10H15N3O3 — CID 23325379

IUPAC2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC2CCC(=O)N2C1=O
InChIInChI=1S/C10H15N3O3/c1-11(2)9(15)6-12-5-7-3-4-8(14)13(7)10(12)16/h7H,3-6H2,1-2H3
InChIKeyBHLZZRVFILUFEJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.50
Rot. Bonds2

About 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide

2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide (PubChem CID 23325379) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide
PubChem CID23325379
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC2CCC(=O)N2C1=O
InChIInChI=1S/C10H15N3O3/c1-11(2)9(15)6-12-5-7-3-4-8(14)13(7)10(12)16/h7H,3-6H2,1-2H3
InChIKeyBHLZZRVFILUFEJ-UHFFFAOYSA-N
XLogP-0.50
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide (CID 23325379) is 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CC2CCC(=O)N2C1=O.
What is the InChIKey of 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide?
The InChIKey is BHLZZRVFILUFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-11(2)9(15)6-12-5-7-3-4-8(14)13(7)10(12)16/h7H,3-6H2,1-2H3.
What are the key properties of 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide?
2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide has a molecular weight of 225.25 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-1,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 23325379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).