N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide

C14H14N2O3 — CID 54694324

IUPACN-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide
SMILESCC(=O)Nc1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C14H14N2O3/c1-8(17)15-11-13(18)10-6-2-4-9-5-3-7-16(12(9)10)14(11)19/h2,4,6,18H,3,5,7H2,1H3,(H,15,17)
InChIKeyUNCIAFHYIDQUHQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.61
Rot. Bonds1

About N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide

N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide (PubChem CID 54694324) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide
PubChem CID54694324
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide
SMILESCC(=O)Nc1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C14H14N2O3/c1-8(17)15-11-13(18)10-6-2-4-9-5-3-7-16(12(9)10)14(11)19/h2,4,6,18H,3,5,7H2,1H3,(H,15,17)
InChIKeyUNCIAFHYIDQUHQ-UHFFFAOYSA-N
XLogP1.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide (CID 54694324) is N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide is CC(=O)Nc1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide?
The InChIKey is UNCIAFHYIDQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8(17)15-11-13(18)10-6-2-4-9-5-3-7-16(12(9)10)14(11)19/h2,4,6,18H,3,5,7H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide?
N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)acetamide is sourced from PubChem (CID 54694324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).