1-hydroxy-N-propan-2-ylpyridin-2-imine

C8H12N2O — CID 72696689

IUPAC1-hydroxy-N-propan-2-ylpyridin-2-imine
SMILESCC(C)/N=c1\ccccn1O
InChIInChI=1S/C8H12N2O/c1-7(2)9-8-5-3-4-6-10(8)11/h3-7,11H,1-2H3/b9-8+
InChIKeyVMQRXNJKBRUWQR-CMDGGOBGSA-N
MW152.20 g/mol
LogP1.03
Rot. Bonds1

About 1-hydroxy-N-propan-2-ylpyridin-2-imine

1-hydroxy-N-propan-2-ylpyridin-2-imine (PubChem CID 72696689) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-hydroxy-N-propan-2-ylpyridin-2-imine.

Molecular Properties

Compound Name1-hydroxy-N-propan-2-ylpyridin-2-imine
PubChem CID72696689
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-hydroxy-N-propan-2-ylpyridin-2-imine
SMILESCC(C)/N=c1\ccccn1O
InChIInChI=1S/C8H12N2O/c1-7(2)9-8-5-3-4-6-10(8)11/h3-7,11H,1-2H3/b9-8+
InChIKeyVMQRXNJKBRUWQR-CMDGGOBGSA-N
XLogP1.03
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
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-N-propan-2-ylpyridin-2-imine?
The IUPAC name of 1-hydroxy-N-propan-2-ylpyridin-2-imine (CID 72696689) is 1-hydroxy-N-propan-2-ylpyridin-2-imine.
What is the SMILES notation for 1-hydroxy-N-propan-2-ylpyridin-2-imine?
The canonical SMILES for 1-hydroxy-N-propan-2-ylpyridin-2-imine is CC(C)/N=c1\ccccn1O.
What is the InChIKey of 1-hydroxy-N-propan-2-ylpyridin-2-imine?
The InChIKey is VMQRXNJKBRUWQR-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(2)9-8-5-3-4-6-10(8)11/h3-7,11H,1-2H3/b9-8+.
What are the key properties of 1-hydroxy-N-propan-2-ylpyridin-2-imine?
1-hydroxy-N-propan-2-ylpyridin-2-imine has a molecular weight of 152.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-propan-2-ylpyridin-2-imine is sourced from PubChem (CID 72696689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).