4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C16H16N2O3 — CID 54686150

IUPAC4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESC=CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C16H16N2O3/c1-2-8-17-15(20)12-14(19)11-7-3-5-10-6-4-9-18(13(10)11)16(12)21/h2-3,5,7,19H,1,4,6,8-9H2,(H,17,20)
InChIKeyUMDAVELRJYSHSP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds3

About 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54686150) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54686150
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESC=CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C16H16N2O3/c1-2-8-17-15(20)12-14(19)11-7-3-5-10-6-4-9-18(13(10)11)16(12)21/h2-3,5,7,19H,1,4,6,8-9H2,(H,17,20)
InChIKeyUMDAVELRJYSHSP-UHFFFAOYSA-N
XLogP1.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54686150) is 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is C=CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is UMDAVELRJYSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-8-17-15(20)12-14(19)11-7-3-5-10-6-4-9-18(13(10)11)16(12)21/h2-3,5,7,19H,1,4,6,8-9H2,(H,17,20).
What are the key properties of 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-prop-2-enyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54686150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).