[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol

C7H11N3O — CID 101185255

IUPAC[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol
SMILESN[C@H]1c2nccn2C[C@@H]1CO
InChIInChI=1S/C7H11N3O/c8-6-5(4-11)3-10-2-1-9-7(6)10/h1-2,5-6,11H,3-4,8H2/t5-,6-/m1/s1
InChIKeyMLMWQKMKLRUOOD-PHDIDXHHSA-N
MW153.19 g/mol
LogP-0.50
Rot. Bonds1

About [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol

[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol (PubChem CID 101185255) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol.

Molecular Properties

Compound Name[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol
PubChem CID101185255
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol
SMILESN[C@H]1c2nccn2C[C@@H]1CO
InChIInChI=1S/C7H11N3O/c8-6-5(4-11)3-10-2-1-9-7(6)10/h1-2,5-6,11H,3-4,8H2/t5-,6-/m1/s1
InChIKeyMLMWQKMKLRUOOD-PHDIDXHHSA-N
XLogP-0.50
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol?
The IUPAC name of [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol (CID 101185255) is [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol.
What is the SMILES notation for [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol?
The canonical SMILES for [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol is N[C@H]1c2nccn2C[C@@H]1CO.
What is the InChIKey of [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol?
The InChIKey is MLMWQKMKLRUOOD-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11N3O/c8-6-5(4-11)3-10-2-1-9-7(6)10/h1-2,5-6,11H,3-4,8H2/t5-,6-/m1/s1.
What are the key properties of [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol?
[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol has a molecular weight of 153.19 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol is sourced from PubChem (CID 101185255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).