1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone

C14H17NO — CID 11424461

IUPAC1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C1CCC2CNC1
InChIInChI=1S/C14H17NO/c1-9(16)10-4-5-13-11-2-3-12(8-15-7-11)14(13)6-10/h4-6,11-12,15H,2-3,7-8H2,1H3
InChIKeyYODVPSZNOLOUTE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.45
Rot. Bonds1

About 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone

1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone (PubChem CID 11424461) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone.

Molecular Properties

Compound Name1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone
PubChem CID11424461
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C1CCC2CNC1
InChIInChI=1S/C14H17NO/c1-9(16)10-4-5-13-11-2-3-12(8-15-7-11)14(13)6-10/h4-6,11-12,15H,2-3,7-8H2,1H3
InChIKeyYODVPSZNOLOUTE-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone?
The IUPAC name of 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone (CID 11424461) is 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone.
What is the SMILES notation for 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone?
The canonical SMILES for 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone is CC(=O)c1ccc2c(c1)C1CCC2CNC1.
What is the InChIKey of 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone?
The InChIKey is YODVPSZNOLOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(16)10-4-5-13-11-2-3-12(8-15-7-11)14(13)6-10/h4-6,11-12,15H,2-3,7-8H2,1H3.
What are the key properties of 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone?
1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone is sourced from PubChem (CID 11424461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).