7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane

C9H16ClNO — CID 166849919

IUPAC7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCC(Cl)N1CCC2(CCOC2)C1
InChIInChI=1S/C9H16ClNO/c1-8(10)11-4-2-9(6-11)3-5-12-7-9/h8H,2-7H2,1H3
InChIKeyORTLBPLOTQOWIU-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.68
Rot. Bonds1

About 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane

7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 166849919) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID166849919
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCC(Cl)N1CCC2(CCOC2)C1
InChIInChI=1S/C9H16ClNO/c1-8(10)11-4-2-9(6-11)3-5-12-7-9/h8H,2-7H2,1H3
InChIKeyORTLBPLOTQOWIU-UHFFFAOYSA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane (CID 166849919) is 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane is CC(Cl)N1CCC2(CCOC2)C1.
What is the InChIKey of 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is ORTLBPLOTQOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)11-4-2-9(6-11)3-5-12-7-9/h8H,2-7H2,1H3.
What are the key properties of 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane?
7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 189.69 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 166849919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).