2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane

C8H15NO — CID 21029972

IUPAC2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane
SMILES[CH2-][NH+]1CC2(CCOCC2)C1
InChIInChI=1S/C8H15NO/c1-9-6-8(7-9)2-4-10-5-3-8/h9H,1-7H2
InChIKeyLMBUOITUGOBDCK-UHFFFAOYSA-N
MW141.21 g/mol
LogP-0.53
Rot. Bonds

About 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane

2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane (PubChem CID 21029972) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane
PubChem CID21029972
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane
SMILES[CH2-][NH+]1CC2(CCOCC2)C1
InChIInChI=1S/C8H15NO/c1-9-6-8(7-9)2-4-10-5-3-8/h9H,1-7H2
InChIKeyLMBUOITUGOBDCK-UHFFFAOYSA-N
XLogP-0.53
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane?
The IUPAC name of 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane (CID 21029972) is 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane.
What is the SMILES notation for 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane?
The canonical SMILES for 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane is [CH2-][NH+]1CC2(CCOCC2)C1.
What is the InChIKey of 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane?
The InChIKey is LMBUOITUGOBDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-6-8(7-9)2-4-10-5-3-8/h9H,1-7H2.
What are the key properties of 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane?
2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane has a molecular weight of 141.21 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-7-oxa-2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 21029972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).