ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate

C10H11FN2O3 — CID 155426468

IUPACethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H11FN2O3/c1-2-16-10(15)9(14)8-7-3-6(11)4-13(7)5-12-8/h5-6H,2-4H2,1H3/t6-/m1/s1
InChIKeyZGPWYVNPHSCJOW-ZCFIWIBFSA-N
MW226.21 g/mol
LogP0.52
Rot. Bonds3

About ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate

ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate (PubChem CID 155426468) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate
PubChem CID155426468
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Nameethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H11FN2O3/c1-2-16-10(15)9(14)8-7-3-6(11)4-13(7)5-12-8/h5-6H,2-4H2,1H3/t6-/m1/s1
InChIKeyZGPWYVNPHSCJOW-ZCFIWIBFSA-N
XLogP0.52
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate (CID 155426468) is ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate is CCOC(=O)C(=O)c1ncn2c1C[C@@H](F)C2.
What is the InChIKey of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate?
The InChIKey is ZGPWYVNPHSCJOW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-2-16-10(15)9(14)8-7-3-6(11)4-13(7)5-12-8/h5-6H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate?
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate has a molecular weight of 226.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxoacetate is sourced from PubChem (CID 155426468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).