1H-azonin-4-ol

C8H9NO — CID 21453636

IUPAC1H-azonin-4-ol
SMILESOc1ccccc[nH]cc1
InChIInChI=1S/C8H9NO/c10-8-4-2-1-3-6-9-7-5-8/h1-7,9-10H/b2-1-,6-3-,7-5-,8-4+
InChIKeyMDBJXUSTZWXHDP-MUYQKWPLSA-N
MW135.17 g/mol
LogP1.84
Rot. Bonds

About 1H-azonin-4-ol

1H-azonin-4-ol (PubChem CID 21453636) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1H-azonin-4-ol.

Molecular Properties

Compound Name1H-azonin-4-ol
PubChem CID21453636
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1H-azonin-4-ol
SMILESOc1ccccc[nH]cc1
InChIInChI=1S/C8H9NO/c10-8-4-2-1-3-6-9-7-5-8/h1-7,9-10H/b2-1-,6-3-,7-5-,8-4+
InChIKeyMDBJXUSTZWXHDP-MUYQKWPLSA-N
XLogP1.84
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-azonin-4-ol?
The IUPAC name of 1H-azonin-4-ol (CID 21453636) is 1H-azonin-4-ol.
What is the SMILES notation for 1H-azonin-4-ol?
The canonical SMILES for 1H-azonin-4-ol is Oc1ccccc[nH]cc1.
What is the InChIKey of 1H-azonin-4-ol?
The InChIKey is MDBJXUSTZWXHDP-MUYQKWPLSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-4-2-1-3-6-9-7-5-8/h1-7,9-10H/b2-1-,6-3-,7-5-,8-4+.
What are the key properties of 1H-azonin-4-ol?
1H-azonin-4-ol has a molecular weight of 135.17 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azonin-4-ol is sourced from PubChem (CID 21453636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).