2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide

C8H12ClNO2 — CID 177333349

IUPAC2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide
SMILESO=C(CCl)NC1CC2(COC2)C1
InChIInChI=1S/C8H12ClNO2/c9-3-7(11)10-6-1-8(2-6)4-12-5-8/h6H,1-5H2,(H,10,11)
InChIKeySHHOGBNLLPJVMQ-UHFFFAOYSA-N
MW189.64 g/mol
LogP0.52
Rot. Bonds2

About 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide

2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide (PubChem CID 177333349) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide
PubChem CID177333349
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide
SMILESO=C(CCl)NC1CC2(COC2)C1
InChIInChI=1S/C8H12ClNO2/c9-3-7(11)10-6-1-8(2-6)4-12-5-8/h6H,1-5H2,(H,10,11)
InChIKeySHHOGBNLLPJVMQ-UHFFFAOYSA-N
XLogP0.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 50.52
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-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide (CID 177333349) is 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide is O=C(CCl)NC1CC2(COC2)C1.
What is the InChIKey of 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide?
The InChIKey is SHHOGBNLLPJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c9-3-7(11)10-6-1-8(2-6)4-12-5-8/h6H,1-5H2,(H,10,11).
What are the key properties of 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide?
2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide has a molecular weight of 189.64 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide is sourced from PubChem (CID 177333349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).