1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine

C8H10N2O — CID 45079049

IUPAC1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine
SMILES[H]/N=c1\ccn(O)c2c1CCC2
InChIInChI=1S/C8H10N2O/c9-7-4-5-10(11)8-3-1-2-6(7)8/h4-5,9,11H,1-3H2/b9-7+
InChIKeyGPRVJAAPKZGTPJ-VQHVLOKHSA-N
MW150.18 g/mol
LogP0.69
Rot. Bonds

About 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine

1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine (PubChem CID 45079049) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine.

Molecular Properties

Compound Name1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine
PubChem CID45079049
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine
SMILES[H]/N=c1\ccn(O)c2c1CCC2
InChIInChI=1S/C8H10N2O/c9-7-4-5-10(11)8-3-1-2-6(7)8/h4-5,9,11H,1-3H2/b9-7+
InChIKeyGPRVJAAPKZGTPJ-VQHVLOKHSA-N
XLogP0.69
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine?
The IUPAC name of 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine (CID 45079049) is 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine.
What is the SMILES notation for 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine?
The canonical SMILES for 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine is [H]/N=c1\ccn(O)c2c1CCC2.
What is the InChIKey of 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine?
The InChIKey is GPRVJAAPKZGTPJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-4-5-10(11)8-3-1-2-6(7)8/h4-5,9,11H,1-3H2/b9-7+.
What are the key properties of 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine?
1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine has a molecular weight of 150.18 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-imine is sourced from PubChem (CID 45079049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).