2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde

C16H20ClNO — CID 114844297

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H20ClNO/c17-14-4-3-13(12-19)15(11-14)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11-12H,1-2,5-10H2
InChIKeyRFBXBKBSWNFCSG-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.31
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde

2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde (PubChem CID 114844297) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde
PubChem CID114844297
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H20ClNO/c17-14-4-3-13(12-19)15(11-14)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11-12H,1-2,5-10H2
InChIKeyRFBXBKBSWNFCSG-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.31
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-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde (CID 114844297) is 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde is O=Cc1ccc(Cl)cc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde?
The InChIKey is RFBXBKBSWNFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-14-4-3-13(12-19)15(11-14)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde?
2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde has a molecular weight of 277.79 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-4-chlorobenzaldehyde is sourced from PubChem (CID 114844297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).