(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol

C6H8N2O — CID 92977143

IUPAC(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@H]1CCn2ccnc21
InChIInChI=1S/C6H8N2O/c9-5-1-3-8-4-2-7-6(5)8/h2,4-5,9H,1,3H2/t5-/m0/s1
InChIKeyZNTOIYUPLXOHAS-YFKPBYRVSA-N
MW124.14 g/mol
LogP0.32
Rot. Bonds

About (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol

(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol (PubChem CID 92977143) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
PubChem CID92977143
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@H]1CCn2ccnc21
InChIInChI=1S/C6H8N2O/c9-5-1-3-8-4-2-7-6(5)8/h2,4-5,9H,1,3H2/t5-/m0/s1
InChIKeyZNTOIYUPLXOHAS-YFKPBYRVSA-N
XLogP0.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol (CID 92977143) is (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol.
What is the SMILES notation for (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol is O[C@H]1CCn2ccnc21.
What is the InChIKey of (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is ZNTOIYUPLXOHAS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2O/c9-5-1-3-8-4-2-7-6(5)8/h2,4-5,9H,1,3H2/t5-/m0/s1.
What are the key properties of (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol?
(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 124.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 92977143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).