2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid

C8H9FN2O2 — CID 156506241

IUPAC2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
SMILESO=C(O)Cc1ncn2c1CC(F)C2
InChIInChI=1S/C8H9FN2O2/c9-5-1-7-6(2-8(12)13)10-4-11(7)3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyDPYAMDDHIXORFF-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.40
Rot. Bonds2

About 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid

2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid (PubChem CID 156506241) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
PubChem CID156506241
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
SMILESO=C(O)Cc1ncn2c1CC(F)C2
InChIInChI=1S/C8H9FN2O2/c9-5-1-7-6(2-8(12)13)10-4-11(7)3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyDPYAMDDHIXORFF-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid (CID 156506241) is 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid is O=C(O)Cc1ncn2c1CC(F)C2.
What is the InChIKey of 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
The InChIKey is DPYAMDDHIXORFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-5-1-7-6(2-8(12)13)10-4-11(7)3-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid has a molecular weight of 184.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid is sourced from PubChem (CID 156506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).