6-azaspiro[2.6]nonane-6-carbonyl chloride

C9H14ClNO — CID 155822544

IUPAC6-azaspiro[2.6]nonane-6-carbonyl chloride
SMILESO=C(Cl)N1CCCC2(CC1)CC2
InChIInChI=1S/C9H14ClNO/c10-8(12)11-6-1-2-9(3-4-9)5-7-11/h1-7H2
InChIKeyMHRFMCGMOIVWDX-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.61
Rot. Bonds

About 6-azaspiro[2.6]nonane-6-carbonyl chloride

6-azaspiro[2.6]nonane-6-carbonyl chloride (PubChem CID 155822544) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 6-azaspiro[2.6]nonane-6-carbonyl chloride.

Molecular Properties

Compound Name6-azaspiro[2.6]nonane-6-carbonyl chloride
PubChem CID155822544
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name6-azaspiro[2.6]nonane-6-carbonyl chloride
SMILESO=C(Cl)N1CCCC2(CC1)CC2
InChIInChI=1S/C9H14ClNO/c10-8(12)11-6-1-2-9(3-4-9)5-7-11/h1-7H2
InChIKeyMHRFMCGMOIVWDX-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.6]nonane-6-carbonyl chloride?
The IUPAC name of 6-azaspiro[2.6]nonane-6-carbonyl chloride (CID 155822544) is 6-azaspiro[2.6]nonane-6-carbonyl chloride.
What is the SMILES notation for 6-azaspiro[2.6]nonane-6-carbonyl chloride?
The canonical SMILES for 6-azaspiro[2.6]nonane-6-carbonyl chloride is O=C(Cl)N1CCCC2(CC1)CC2.
What is the InChIKey of 6-azaspiro[2.6]nonane-6-carbonyl chloride?
The InChIKey is MHRFMCGMOIVWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-8(12)11-6-1-2-9(3-4-9)5-7-11/h1-7H2.
What are the key properties of 6-azaspiro[2.6]nonane-6-carbonyl chloride?
6-azaspiro[2.6]nonane-6-carbonyl chloride has a molecular weight of 187.67 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.6]nonane-6-carbonyl chloride is sourced from PubChem (CID 155822544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).