ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate

C10H14N2O2S — CID 765799

IUPACethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1cn2c(n1)CCC2
InChIInChI=1S/C10H14N2O2S/c1-2-14-10(13)7-15-9-6-12-5-3-4-8(12)11-9/h6H,2-5,7H2,1H3
InChIKeyRBOMGFFUDVBESU-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.48
Rot. Bonds4

About ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate

ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate (PubChem CID 765799) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate
PubChem CID765799
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1cn2c(n1)CCC2
InChIInChI=1S/C10H14N2O2S/c1-2-14-10(13)7-15-9-6-12-5-3-4-8(12)11-9/h6H,2-5,7H2,1H3
InChIKeyRBOMGFFUDVBESU-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate (CID 765799) is ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate is CCOC(=O)CSc1cn2c(n1)CCC2.
What is the InChIKey of ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate?
The InChIKey is RBOMGFFUDVBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-14-10(13)7-15-9-6-12-5-3-4-8(12)11-9/h6H,2-5,7H2,1H3.
What are the key properties of ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate?
ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate has a molecular weight of 226.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 765799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).