6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde

C16H23NO3 — CID 135033643

IUPAC6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde
SMILESCCC(=O)C1CC(=O)C2CCCN3CCCC1C23C=O
InChIInChI=1S/C16H23NO3/c1-2-14(19)11-9-15(20)13-6-4-8-17-7-3-5-12(11)16(13,17)10-18/h10-13H,2-9H2,1H3
InChIKeyVDSYJYIBLGNTPE-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.61
Rot. Bonds3

About 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde

6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde (PubChem CID 135033643) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde.

Molecular Properties

Compound Name6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde
PubChem CID135033643
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde
SMILESCCC(=O)C1CC(=O)C2CCCN3CCCC1C23C=O
InChIInChI=1S/C16H23NO3/c1-2-14(19)11-9-15(20)13-6-4-8-17-7-3-5-12(11)16(13,17)10-18/h10-13H,2-9H2,1H3
InChIKeyVDSYJYIBLGNTPE-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde?
The IUPAC name of 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde (CID 135033643) is 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde.
What is the SMILES notation for 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde?
The canonical SMILES for 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde is CCC(=O)C1CC(=O)C2CCCN3CCCC1C23C=O.
What is the InChIKey of 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde?
The InChIKey is VDSYJYIBLGNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-14(19)11-9-15(20)13-6-4-8-17-7-3-5-12(11)16(13,17)10-18/h10-13H,2-9H2,1H3.
What are the key properties of 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde?
6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde has a molecular weight of 277.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-8-propanoyl-1-azatricyclo[7.3.1.05,13]tridecane-13-carbaldehyde is sourced from PubChem (CID 135033643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).