3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide

C15H18N2O2 — CID 70063411

IUPAC3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide
SMILESNC(=O)CCC1Cc2cccc3c2N(CCC3)C1=O
InChIInChI=1S/C15H18N2O2/c16-13(18)7-6-12-9-11-4-1-3-10-5-2-8-17(14(10)11)15(12)19/h1,3-4,12H,2,5-9H2,(H2,16,18)
InChIKeyJOTNCIUHSUREPU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds3

About 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide

3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide (PubChem CID 70063411) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide
PubChem CID70063411
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide
SMILESNC(=O)CCC1Cc2cccc3c2N(CCC3)C1=O
InChIInChI=1S/C15H18N2O2/c16-13(18)7-6-12-9-11-4-1-3-10-5-2-8-17(14(10)11)15(12)19/h1,3-4,12H,2,5-9H2,(H2,16,18)
InChIKeyJOTNCIUHSUREPU-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide (CID 70063411) is 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide is NC(=O)CCC1Cc2cccc3c2N(CCC3)C1=O.
What is the InChIKey of 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide?
The InChIKey is JOTNCIUHSUREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-13(18)7-6-12-9-11-4-1-3-10-5-2-8-17(14(10)11)15(12)19/h1,3-4,12H,2,5-9H2,(H2,16,18).
What are the key properties of 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide?
3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-yl)propanamide is sourced from PubChem (CID 70063411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).