7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane

C10H18ClNO — CID 176924600

IUPAC7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESClCCCN1CCC2(CCCO2)C1
InChIInChI=1S/C10H18ClNO/c11-5-2-6-12-7-4-10(9-12)3-1-8-13-10/h1-9H2
InChIKeyQBRZGOSTKBPMAV-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.87
Rot. Bonds3

About 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane

7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 176924600) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID176924600
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESClCCCN1CCC2(CCCO2)C1
InChIInChI=1S/C10H18ClNO/c11-5-2-6-12-7-4-10(9-12)3-1-8-13-10/h1-9H2
InChIKeyQBRZGOSTKBPMAV-UHFFFAOYSA-N
XLogP1.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.87
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 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane (CID 176924600) is 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane is ClCCCN1CCC2(CCCO2)C1.
What is the InChIKey of 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is QBRZGOSTKBPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-5-2-6-12-7-4-10(9-12)3-1-8-13-10/h1-9H2.
What are the key properties of 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane?
7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 203.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloropropyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 176924600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).