1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone

C15H16N2O — CID 129113866

IUPAC1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CC2CN3C=C1C2CC3
InChIInChI=1S/C15H16N2O/c18-15(11-4-2-1-3-5-11)17-9-12-8-16-7-6-13(12)14(17)10-16/h1-5,10,12-13H,6-9H2
InChIKeyVEBDKUCJAJFYEW-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.94
Rot. Bonds1

About 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone

1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone (PubChem CID 129113866) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone.

Molecular Properties

Compound Name1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone
PubChem CID129113866
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CC2CN3C=C1C2CC3
InChIInChI=1S/C15H16N2O/c18-15(11-4-2-1-3-5-11)17-9-12-8-16-7-6-13(12)14(17)10-16/h1-5,10,12-13H,6-9H2
InChIKeyVEBDKUCJAJFYEW-UHFFFAOYSA-N
XLogP1.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone?
The IUPAC name of 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone (CID 129113866) is 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone.
What is the SMILES notation for 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone?
The canonical SMILES for 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone is O=C(c1ccccc1)N1CC2CN3C=C1C2CC3.
What is the InChIKey of 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone?
The InChIKey is VEBDKUCJAJFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(11-4-2-1-3-5-11)17-9-12-8-16-7-6-13(12)14(17)10-16/h1-5,10,12-13H,6-9H2.
What are the key properties of 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone?
1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone has a molecular weight of 240.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone is sourced from PubChem (CID 129113866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).