1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane

C9H16ClNO — CID 176923918

IUPAC1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane
SMILESClCCCN1CCC12CCOC2
InChIInChI=1S/C9H16ClNO/c10-4-1-5-11-6-2-9(11)3-7-12-8-9/h1-8H2
InChIKeySVJDOWPFIMJUDL-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.48
Rot. Bonds3

About 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane

1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane (PubChem CID 176923918) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane.

Molecular Properties

Compound Name1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane
PubChem CID176923918
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane
SMILESClCCCN1CCC12CCOC2
InChIInChI=1S/C9H16ClNO/c10-4-1-5-11-6-2-9(11)3-7-12-8-9/h1-8H2
InChIKeySVJDOWPFIMJUDL-UHFFFAOYSA-N
XLogP1.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane?
The IUPAC name of 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane (CID 176923918) is 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane.
What is the SMILES notation for 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane?
The canonical SMILES for 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane is ClCCCN1CCC12CCOC2.
What is the InChIKey of 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane?
The InChIKey is SVJDOWPFIMJUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-4-1-5-11-6-2-9(11)3-7-12-8-9/h1-8H2.
What are the key properties of 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane?
1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane has a molecular weight of 189.69 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-7-oxa-1-azaspiro[3.4]octane is sourced from PubChem (CID 176923918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).