7-chloro-7-azaspiro[3.5]nonane

C8H14ClN — CID 90208332

IUPAC7-chloro-7-azaspiro[3.5]nonane
SMILESClN1CCC2(CCC2)CC1
InChIInChI=1S/C8H14ClN/c9-10-6-4-8(5-7-10)2-1-3-8/h1-7H2
InChIKeyWKSSQGHSANTQJW-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.41
Rot. Bonds

About 7-chloro-7-azaspiro[3.5]nonane

7-chloro-7-azaspiro[3.5]nonane (PubChem CID 90208332) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 7-chloro-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-chloro-7-azaspiro[3.5]nonane
PubChem CID90208332
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name7-chloro-7-azaspiro[3.5]nonane
SMILESClN1CCC2(CCC2)CC1
InChIInChI=1S/C8H14ClN/c9-10-6-4-8(5-7-10)2-1-3-8/h1-7H2
InChIKeyWKSSQGHSANTQJW-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-7-azaspiro[3.5]nonane?
The IUPAC name of 7-chloro-7-azaspiro[3.5]nonane (CID 90208332) is 7-chloro-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-chloro-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-chloro-7-azaspiro[3.5]nonane is ClN1CCC2(CCC2)CC1.
What is the InChIKey of 7-chloro-7-azaspiro[3.5]nonane?
The InChIKey is WKSSQGHSANTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c9-10-6-4-8(5-7-10)2-1-3-8/h1-7H2.
What are the key properties of 7-chloro-7-azaspiro[3.5]nonane?
7-chloro-7-azaspiro[3.5]nonane has a molecular weight of 159.66 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-7-azaspiro[3.5]nonane is sourced from PubChem (CID 90208332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).