(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol

C7H10N2O3 — CID 11745058

IUPAC(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)c2cncn21
InChIInChI=1S/C7H10N2O3/c10-2-5-7(12)6(11)4-1-8-3-9(4)5/h1,3,5-7,10-12H,2H2/t5-,6+,7-/m1/s1
InChIKeyPLCUSYNYULFULB-DSYKOEDSSA-N
MW170.17 g/mol
LogP-1.18
Rot. Bonds1

About (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol

(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol (PubChem CID 11745058) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol.

Molecular Properties

Compound Name(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol
PubChem CID11745058
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)c2cncn21
InChIInChI=1S/C7H10N2O3/c10-2-5-7(12)6(11)4-1-8-3-9(4)5/h1,3,5-7,10-12H,2H2/t5-,6+,7-/m1/s1
InChIKeyPLCUSYNYULFULB-DSYKOEDSSA-N
XLogP-1.18
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol?
The IUPAC name of (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol (CID 11745058) is (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol.
What is the SMILES notation for (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol?
The canonical SMILES for (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol is OC[C@@H]1[C@@H](O)[C@@H](O)c2cncn21.
What is the InChIKey of (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol?
The InChIKey is PLCUSYNYULFULB-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-2-5-7(12)6(11)4-1-8-3-9(4)5/h1,3,5-7,10-12H,2H2/t5-,6+,7-/m1/s1.
What are the key properties of (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol?
(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol has a molecular weight of 170.17 g/mol, XLogP of -1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol is sourced from PubChem (CID 11745058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).