2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde

C16H21NO2 — CID 170758168

IUPAC2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde
SMILESO=CC1CN(Cc2ccccc2)CC12CCOCC2
InChIInChI=1S/C16H21NO2/c18-12-15-11-17(10-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,12,15H,6-11,13H2
InChIKeyDVIWERFFPIYOPP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds3

About 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde

2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde (PubChem CID 170758168) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde
PubChem CID170758168
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde
SMILESO=CC1CN(Cc2ccccc2)CC12CCOCC2
InChIInChI=1S/C16H21NO2/c18-12-15-11-17(10-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,12,15H,6-11,13H2
InChIKeyDVIWERFFPIYOPP-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
CID 118356567
2-[(4-bromophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
CID 71432598
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
1-benzyl-4-methyl-4-(2,3,4,6-tetrafluorophenyl)pyrrolidine-3-carbaldehyde
CID 88942129
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine
CID 122096454
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
7-benzyl-N-(4-hydroxybutyl)-N-methyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxamide
CID 126830281
2-[[3-(trifluoromethoxy)phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599692

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde?
The IUPAC name of 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde (CID 170758168) is 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde.
What is the SMILES notation for 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde?
The canonical SMILES for 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde is O=CC1CN(Cc2ccccc2)CC12CCOCC2.
What is the InChIKey of 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde?
The InChIKey is DVIWERFFPIYOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-12-15-11-17(10-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,12,15H,6-11,13H2.
What are the key properties of 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde?
2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde has a molecular weight of 259.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde is sourced from PubChem (CID 170758168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).