(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one

C8H9BrN2O2 — CID 146270260

IUPAC(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one
SMILESCOC[C@@H]1NC(=O)c2cc(Br)cn21
InChIInChI=1S/C8H9BrN2O2/c1-13-4-7-10-8(12)6-2-5(9)3-11(6)7/h2-3,7H,4H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyXEYJAGBQTSLLIN-SSDOTTSWSA-N
MW245.08 g/mol
LogP1.14
Rot. Bonds2

About (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one

(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one (PubChem CID 146270260) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one
PubChem CID146270260
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one
SMILESCOC[C@@H]1NC(=O)c2cc(Br)cn21
InChIInChI=1S/C8H9BrN2O2/c1-13-4-7-10-8(12)6-2-5(9)3-11(6)7/h2-3,7H,4H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyXEYJAGBQTSLLIN-SSDOTTSWSA-N
XLogP1.14
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate
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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one (CID 146270260) is (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one is COC[C@@H]1NC(=O)c2cc(Br)cn21.
What is the InChIKey of (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one?
The InChIKey is XEYJAGBQTSLLIN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-4-7-10-8(12)6-2-5(9)3-11(6)7/h2-3,7H,4H2,1H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one?
(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one has a molecular weight of 245.08 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 146270260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).