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

C15H18N2O2 — CID 7526970

IUPACN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide
SMILESCCC(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C15H18N2O2/c1-2-13(18)16-12-8-10-4-3-7-17-14(19)6-5-11(9-12)15(10)17/h8-9H,2-7H2,1H3,(H,16,18)
InChIKeyPIUQACHKTIOCKS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds2

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

N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide (PubChem CID 7526970) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide
PubChem CID7526970
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide
SMILESCCC(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C15H18N2O2/c1-2-13(18)16-12-8-10-4-3-7-17-14(19)6-5-11(9-12)15(10)17/h8-9H,2-7H2,1H3,(H,16,18)
InChIKeyPIUQACHKTIOCKS-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)propanamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide (CID 7526970) is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide is CCC(=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)propanamide?
The InChIKey is PIUQACHKTIOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-13(18)16-12-8-10-4-3-7-17-14(19)6-5-11(9-12)15(10)17/h8-9H,2-7H2,1H3,(H,16,18).
What are the key properties of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide?
N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 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)propanamide is sourced from PubChem (CID 7526970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).