2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde

C9H15NO — CID 175908711

IUPAC2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde
SMILESO=CC[C@@H]1CC2(CCC2)CN1
InChIInChI=1S/C9H15NO/c11-5-2-8-6-9(7-10-8)3-1-4-9/h5,8,10H,1-4,6-7H2/t8-/m1/s1
InChIKeyDBYPIBYBHBHONN-MRVPVSSYSA-N
MW153.22 g/mol
LogP1.11
Rot. Bonds2

About 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde

2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde (PubChem CID 175908711) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde
PubChem CID175908711
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde
SMILESO=CC[C@@H]1CC2(CCC2)CN1
InChIInChI=1S/C9H15NO/c11-5-2-8-6-9(7-10-8)3-1-4-9/h5,8,10H,1-4,6-7H2/t8-/m1/s1
InChIKeyDBYPIBYBHBHONN-MRVPVSSYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde?
The IUPAC name of 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde (CID 175908711) is 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde.
What is the SMILES notation for 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde?
The canonical SMILES for 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde is O=CC[C@@H]1CC2(CCC2)CN1.
What is the InChIKey of 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde?
The InChIKey is DBYPIBYBHBHONN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c11-5-2-8-6-9(7-10-8)3-1-4-9/h5,8,10H,1-4,6-7H2/t8-/m1/s1.
What are the key properties of 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde?
2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde is sourced from PubChem (CID 175908711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).