2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride

C8H13ClN2O — CID 131000866

IUPAC2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride
SMILESCN1CC2(CCN(C(=O)Cl)C2)C1
InChIInChI=1S/C8H13ClN2O/c1-10-4-8(5-10)2-3-11(6-8)7(9)12/h2-6H2,1H3
InChIKeyAXVWNCLEZVPTME-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.98
Rot. Bonds

About 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride

2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride (PubChem CID 131000866) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride
PubChem CID131000866
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride
SMILESCN1CC2(CCN(C(=O)Cl)C2)C1
InChIInChI=1S/C8H13ClN2O/c1-10-4-8(5-10)2-3-11(6-8)7(9)12/h2-6H2,1H3
InChIKeyAXVWNCLEZVPTME-UHFFFAOYSA-N
XLogP0.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride?
The IUPAC name of 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride (CID 131000866) is 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride.
What is the SMILES notation for 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride?
The canonical SMILES for 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride is CN1CC2(CCN(C(=O)Cl)C2)C1.
What is the InChIKey of 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride?
The InChIKey is AXVWNCLEZVPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-10-4-8(5-10)2-3-11(6-8)7(9)12/h2-6H2,1H3.
What are the key properties of 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride?
2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride has a molecular weight of 188.66 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl chloride is sourced from PubChem (CID 131000866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).