N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide

C17H19N3O3 — CID 16823279

IUPACN'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C17H19N3O3/c1-2-7-18-16(22)17(23)19-13-9-11-4-3-8-20-14(21)6-5-12(10-13)15(11)20/h2,9-10H,1,3-8H2,(H,18,22)(H,19,23)
InChIKeyWXUBPWVZWYVRNY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.15
Rot. Bonds3

About N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide

N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide (PubChem CID 16823279) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide
PubChem CID16823279
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C17H19N3O3/c1-2-7-18-16(22)17(23)19-13-9-11-4-3-8-20-14(21)6-5-12(10-13)15(11)20/h2,9-10H,1,3-8H2,(H,18,22)(H,19,23)
InChIKeyWXUBPWVZWYVRNY-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide (CID 16823279) is N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide?
The InChIKey is WXUBPWVZWYVRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-7-18-16(22)17(23)19-13-9-11-4-3-8-20-14(21)6-5-12(10-13)15(11)20/h2,9-10H,1,3-8H2,(H,18,22)(H,19,23).
What are the key properties of N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide?
N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide has a molecular weight of 313.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-prop-2-enyloxamide is sourced from PubChem (CID 16823279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).