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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,10R,13R,14S,15R)-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-yl] acetate
CID 162942299
1-(2-propanoylpyrrolidin-1-yl)butane-1,2-dione
CID 20658470
trans-(2S,3S)-3-ethyl-2-propanoylcyclohexan-1-one
CID 131850892
trans-(2S,3S)-2-methyl-3-propanoylcyclopentan-1-one
CID 91694790
(15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 171345971
(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 6710668
(2R,10S,13S,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 11880717
calcium bis(2-oxo-4-propanoylcyclohexane-1-carboxylate)
CID 141202121
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-butanoylpyrrolidine-2-carbaldehyde
CID 19783440
N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
CID 144530066
5-propanoylcyclohexane-1,3-dione
CID 159256323

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).