2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

C18H18N2O — CID 24772643

IUPAC2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2Cc1ccccc1
InChIInChI=1S/C18H18N2O/c21-18-15-8-4-7-14-9-10-20(16(11-19-18)17(14)15)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,19,21)
InChIKeyAKZIIMCENGVIGG-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.53
Rot. Bonds2

About 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (PubChem CID 24772643) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.

Molecular Properties

Compound Name2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
PubChem CID24772643
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2Cc1ccccc1
InChIInChI=1S/C18H18N2O/c21-18-15-8-4-7-14-9-10-20(16(11-19-18)17(14)15)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,19,21)
InChIKeyAKZIIMCENGVIGG-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The IUPAC name of 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (CID 24772643) is 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.
What is the SMILES notation for 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The canonical SMILES for 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is O=C1NCC2c3c(cccc31)CCN2Cc1ccccc1.
What is the InChIKey of 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The InChIKey is AKZIIMCENGVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18-15-8-4-7-14-9-10-20(16(11-19-18)17(14)15)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,19,21).
What are the key properties of 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one has a molecular weight of 278.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is sourced from PubChem (CID 24772643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).