2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane

C12H21NO — CID 144515716

IUPAC2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane
SMILESC=C(OC)N1CC2(CCC(C)CC2)C1
InChIInChI=1S/C12H21NO/c1-10-4-6-12(7-5-10)8-13(9-12)11(2)14-3/h10H,2,4-9H2,1,3H3
InChIKeyXWQOSDGJHNRXBH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds2

About 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane

2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane (PubChem CID 144515716) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane
PubChem CID144515716
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane
SMILESC=C(OC)N1CC2(CCC(C)CC2)C1
InChIInChI=1S/C12H21NO/c1-10-4-6-12(7-5-10)8-13(9-12)11(2)14-3/h10H,2,4-9H2,1,3H3
InChIKeyXWQOSDGJHNRXBH-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane (CID 144515716) is 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane is C=C(OC)N1CC2(CCC(C)CC2)C1.
What is the InChIKey of 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane?
The InChIKey is XWQOSDGJHNRXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-4-6-12(7-5-10)8-13(9-12)11(2)14-3/h10H,2,4-9H2,1,3H3.
What are the key properties of 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane?
2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane has a molecular weight of 195.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 144515716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).