methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate

C8H11N3O2 — CID 7326914

IUPACmethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCOC(=O)c1c(N)nc2n1CCC2
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-7(9)10-5-3-2-4-11(5)6/h2-4,9H2,1H3
InChIKeyZEZTYLMYXMCWMM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.20
Rot. Bonds1

About methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate

methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (PubChem CID 7326914) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
PubChem CID7326914
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCOC(=O)c1c(N)nc2n1CCC2
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-7(9)10-5-3-2-4-11(5)6/h2-4,9H2,1H3
InChIKeyZEZTYLMYXMCWMM-UHFFFAOYSA-N
XLogP0.20
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The IUPAC name of methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (CID 7326914) is methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The canonical SMILES for methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is COC(=O)c1c(N)nc2n1CCC2.
What is the InChIKey of methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The InChIKey is ZEZTYLMYXMCWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)6-7(9)10-5-3-2-4-11(5)6/h2-4,9H2,1H3.
What are the key properties of methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is sourced from PubChem (CID 7326914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).