2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde

C15H18ClNO — CID 114279358

IUPAC2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde
SMILESO=Cc1cccc(Cl)c1N1CCC2(CCCC2)C1
InChIInChI=1S/C15H18ClNO/c16-13-5-3-4-12(10-18)14(13)17-9-8-15(11-17)6-1-2-7-15/h3-5,10H,1-2,6-9,11H2
InChIKeyKPPNQOSWOBRYHI-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.92
Rot. Bonds2

About 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde

2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde (PubChem CID 114279358) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde
PubChem CID114279358
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde
SMILESO=Cc1cccc(Cl)c1N1CCC2(CCCC2)C1
InChIInChI=1S/C15H18ClNO/c16-13-5-3-4-12(10-18)14(13)17-9-8-15(11-17)6-1-2-7-15/h3-5,10H,1-2,6-9,11H2
InChIKeyKPPNQOSWOBRYHI-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde?
The IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde (CID 114279358) is 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde.
What is the SMILES notation for 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde?
The canonical SMILES for 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde is O=Cc1cccc(Cl)c1N1CCC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde?
The InChIKey is KPPNQOSWOBRYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-13-5-3-4-12(10-18)14(13)17-9-8-15(11-17)6-1-2-7-15/h3-5,10H,1-2,6-9,11H2.
What are the key properties of 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde?
2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde has a molecular weight of 263.77 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde is sourced from PubChem (CID 114279358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).