3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal

C11H17NO2 — CID 130494982

IUPAC3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal
SMILESO=CCCN1CC2CC3CC2C1C3O
InChIInChI=1S/C11H17NO2/c13-3-1-2-12-6-8-4-7-5-9(8)10(12)11(7)14/h3,7-11,14H,1-2,4-6H2
InChIKeyWANABTWHBRSLSX-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.28
Rot. Bonds3

About 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal

3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal (PubChem CID 130494982) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal.

Molecular Properties

Compound Name3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal
PubChem CID130494982
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal
SMILESO=CCCN1CC2CC3CC2C1C3O
InChIInChI=1S/C11H17NO2/c13-3-1-2-12-6-8-4-7-5-9(8)10(12)11(7)14/h3,7-11,14H,1-2,4-6H2
InChIKeyWANABTWHBRSLSX-UHFFFAOYSA-N
XLogP0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal?
The IUPAC name of 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal (CID 130494982) is 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal.
What is the SMILES notation for 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal?
The canonical SMILES for 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal is O=CCCN1CC2CC3CC2C1C3O.
What is the InChIKey of 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal?
The InChIKey is WANABTWHBRSLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-3-1-2-12-6-8-4-7-5-9(8)10(12)11(7)14/h3,7-11,14H,1-2,4-6H2.
What are the key properties of 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal?
3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal has a molecular weight of 195.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal is sourced from PubChem (CID 130494982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).