7-methyl-1H-azonine-4,5-diol

C9H11NO2 — CID 118409024

IUPAC7-methyl-1H-azonine-4,5-diol
SMILESCc1cc[nH]ccc(O)c(O)c1
InChIInChI=1S/C9H11NO2/c1-7-2-4-10-5-3-8(11)9(12)6-7/h2-6,10-12H,1H3/b4-2-,5-3-,7-6-,9-8-
InChIKeyXJDCZTSXLZWUAA-OCAUNROQSA-N
MW165.19 g/mol
LogP1.86
Rot. Bonds

About 7-methyl-1H-azonine-4,5-diol

7-methyl-1H-azonine-4,5-diol (PubChem CID 118409024) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 7-methyl-1H-azonine-4,5-diol.

Molecular Properties

Compound Name7-methyl-1H-azonine-4,5-diol
PubChem CID118409024
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name7-methyl-1H-azonine-4,5-diol
SMILESCc1cc[nH]ccc(O)c(O)c1
InChIInChI=1S/C9H11NO2/c1-7-2-4-10-5-3-8(11)9(12)6-7/h2-6,10-12H,1H3/b4-2-,5-3-,7-6-,9-8-
InChIKeyXJDCZTSXLZWUAA-OCAUNROQSA-N
XLogP1.86
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-azonine-4,5-diol?
The IUPAC name of 7-methyl-1H-azonine-4,5-diol (CID 118409024) is 7-methyl-1H-azonine-4,5-diol.
What is the SMILES notation for 7-methyl-1H-azonine-4,5-diol?
The canonical SMILES for 7-methyl-1H-azonine-4,5-diol is Cc1cc[nH]ccc(O)c(O)c1.
What is the InChIKey of 7-methyl-1H-azonine-4,5-diol?
The InChIKey is XJDCZTSXLZWUAA-OCAUNROQSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-2-4-10-5-3-8(11)9(12)6-7/h2-6,10-12H,1H3/b4-2-,5-3-,7-6-,9-8-.
What are the key properties of 7-methyl-1H-azonine-4,5-diol?
7-methyl-1H-azonine-4,5-diol has a molecular weight of 165.19 g/mol, XLogP of 1.86, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-azonine-4,5-diol is sourced from PubChem (CID 118409024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).