1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane

C7H12ClNO — CID 170714614

IUPAC1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane
SMILESClCCN1CCC12COC2
InChIInChI=1S/C7H12ClNO/c8-2-4-9-3-1-7(9)5-10-6-7/h1-6H2
InChIKeyGYLAMMBDGZAWBI-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.70
Rot. Bonds2

About 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane

1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane (PubChem CID 170714614) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane
PubChem CID170714614
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane
SMILESClCCN1CCC12COC2
InChIInChI=1S/C7H12ClNO/c8-2-4-9-3-1-7(9)5-10-6-7/h1-6H2
InChIKeyGYLAMMBDGZAWBI-UHFFFAOYSA-N
XLogP0.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane?
The IUPAC name of 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane (CID 170714614) is 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane.
What is the SMILES notation for 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane?
The canonical SMILES for 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane is ClCCN1CCC12COC2.
What is the InChIKey of 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane?
The InChIKey is GYLAMMBDGZAWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-2-4-9-3-1-7(9)5-10-6-7/h1-6H2.
What are the key properties of 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane?
1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane has a molecular weight of 161.63 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-6-oxa-1-azaspiro[3.3]heptane is sourced from PubChem (CID 170714614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).