(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde

C16H21NO2 — CID 118356567

IUPAC(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
SMILESO=C[C@@H]1CN(Cc2ccccc2)CC2(CCCC2)O1
InChIInChI=1S/C16H21NO2/c18-12-15-11-17(10-14-6-2-1-3-7-14)13-16(19-15)8-4-5-9-16/h1-3,6-7,12,15H,4-5,8-11,13H2/t15-/m0/s1
InChIKeyHLXHSEDDWIOADN-HNNXBMFYSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds3

About (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde

(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde (PubChem CID 118356567) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
PubChem CID118356567
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
SMILESO=C[C@@H]1CN(Cc2ccccc2)CC2(CCCC2)O1
InChIInChI=1S/C16H21NO2/c18-12-15-11-17(10-14-6-2-1-3-7-14)13-16(19-15)8-4-5-9-16/h1-3,6-7,12,15H,4-5,8-11,13H2/t15-/m0/s1
InChIKeyHLXHSEDDWIOADN-HNNXBMFYSA-N
XLogP2.40
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 ≤ 52.40
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

(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
CID 139384919
2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde
CID 170758168
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(4-benzyl-2-ethenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 86672478
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355
3-benzyl-3-azabicyclo[3.2.1]octane-1-carbaldehyde
CID 175636615
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 124637599
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(5R,7R)-9-[(1-benzylpyrazol-4-yl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 125140111
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318

Frequently Asked Questions

What is the IUPAC name of (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde (CID 118356567) is (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde is O=C[C@@H]1CN(Cc2ccccc2)CC2(CCCC2)O1.
What is the InChIKey of (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is HLXHSEDDWIOADN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-12-15-11-17(10-14-6-2-1-3-7-14)13-16(19-15)8-4-5-9-16/h1-3,6-7,12,15H,4-5,8-11,13H2/t15-/m0/s1.
What are the key properties of (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde?
(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde has a molecular weight of 259.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 118356567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).