3-methoxy-2-methyl-1H-azonine

C10H13NO — CID 174309251

IUPAC3-methoxy-2-methyl-1H-azonine
SMILESCOc1cccccc[nH]c1C
InChIInChI=1S/C10H13NO/c1-9-10(12-2)7-5-3-4-6-8-11-9/h3-8,11H,1-2H3/b4-3-,7-5-,8-6-,10-9+
InChIKeyDDCHZOVOZCRSET-HTSXKLHFSA-N
MW163.22 g/mol
LogP2.46
Rot. Bonds1

About 3-methoxy-2-methyl-1H-azonine

3-methoxy-2-methyl-1H-azonine (PubChem CID 174309251) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1H-azonine.

Molecular Properties

Compound Name3-methoxy-2-methyl-1H-azonine
PubChem CID174309251
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methoxy-2-methyl-1H-azonine
SMILESCOc1cccccc[nH]c1C
InChIInChI=1S/C10H13NO/c1-9-10(12-2)7-5-3-4-6-8-11-9/h3-8,11H,1-2H3/b4-3-,7-5-,8-6-,10-9+
InChIKeyDDCHZOVOZCRSET-HTSXKLHFSA-N
XLogP2.46
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1H-azonine?
The IUPAC name of 3-methoxy-2-methyl-1H-azonine (CID 174309251) is 3-methoxy-2-methyl-1H-azonine.
What is the SMILES notation for 3-methoxy-2-methyl-1H-azonine?
The canonical SMILES for 3-methoxy-2-methyl-1H-azonine is COc1cccccc[nH]c1C.
What is the InChIKey of 3-methoxy-2-methyl-1H-azonine?
The InChIKey is DDCHZOVOZCRSET-HTSXKLHFSA-N. The full InChI is InChI=1S/C10H13NO/c1-9-10(12-2)7-5-3-4-6-8-11-9/h3-8,11H,1-2H3/b4-3-,7-5-,8-6-,10-9+.
What are the key properties of 3-methoxy-2-methyl-1H-azonine?
3-methoxy-2-methyl-1H-azonine has a molecular weight of 163.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1H-azonine is sourced from PubChem (CID 174309251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).