3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide

C14H18N2O3 — CID 19133844

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C14H18N2O3/c1-2-15-10(17)5-6-16-13(18)11-8-3-4-9(7-8)12(11)14(16)19/h3-4,8-9,11-12H,2,5-7H2,1H3,(H,15,17)
InChIKeyZVRQZRWZBSZPSQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.32
Rot. Bonds4

About 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide (PubChem CID 19133844) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide
PubChem CID19133844
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C14H18N2O3/c1-2-15-10(17)5-6-16-13(18)11-8-3-4-9(7-8)12(11)14(16)19/h3-4,8-9,11-12H,2,5-7H2,1H3,(H,15,17)
InChIKeyZVRQZRWZBSZPSQ-UHFFFAOYSA-N
XLogP0.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide (CID 19133844) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide?
The InChIKey is ZVRQZRWZBSZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-15-10(17)5-6-16-13(18)11-8-3-4-9(7-8)12(11)14(16)19/h3-4,8-9,11-12H,2,5-7H2,1H3,(H,15,17).
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethylpropanamide is sourced from PubChem (CID 19133844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).