2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol

C11H20ClNO — CID 97169857

IUPAC2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol
SMILESOCCN1CC[C@]2(CC[C@@H](CCl)C2)C1
InChIInChI=1S/C11H20ClNO/c12-8-10-1-2-11(7-10)3-4-13(9-11)5-6-14/h10,14H,1-9H2/t10-,11+/m1/s1
InChIKeyDUNOMKPRGUBTKO-MNOVXSKESA-N
MW217.74 g/mol
LogP1.71
Rot. Bonds3

About 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol

2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol (PubChem CID 97169857) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol
PubChem CID97169857
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol
SMILESOCCN1CC[C@]2(CC[C@@H](CCl)C2)C1
InChIInChI=1S/C11H20ClNO/c12-8-10-1-2-11(7-10)3-4-13(9-11)5-6-14/h10,14H,1-9H2/t10-,11+/m1/s1
InChIKeyDUNOMKPRGUBTKO-MNOVXSKESA-N
XLogP1.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol?
The IUPAC name of 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol (CID 97169857) is 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol.
What is the SMILES notation for 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol?
The canonical SMILES for 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol is OCCN1CC[C@]2(CC[C@@H](CCl)C2)C1.
What is the InChIKey of 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol?
The InChIKey is DUNOMKPRGUBTKO-MNOVXSKESA-N. The full InChI is InChI=1S/C11H20ClNO/c12-8-10-1-2-11(7-10)3-4-13(9-11)5-6-14/h10,14H,1-9H2/t10-,11+/m1/s1.
What are the key properties of 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol?
2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol has a molecular weight of 217.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol is sourced from PubChem (CID 97169857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).