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

C19H18N2O2 — CID 23642205

IUPAC2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c22-17(11-13-5-2-1-3-6-13)21-10-9-14-7-4-8-15-18(14)16(21)12-20-19(15)23/h1-8,16H,9-12H2,(H,20,23)
InChIKeyBKPPSOXVXIFHKG-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.10
Rot. Bonds2

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

2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (PubChem CID 23642205) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.

Molecular Properties

Compound Name2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
PubChem CID23642205
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c22-17(11-13-5-2-1-3-6-13)21-10-9-14-7-4-8-15-18(14)16(21)12-20-19(15)23/h1-8,16H,9-12H2,(H,20,23)
InChIKeyBKPPSOXVXIFHKG-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The IUPAC name of 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (CID 23642205) is 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.
What is the SMILES notation for 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The canonical SMILES for 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccc1.
What is the InChIKey of 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The InChIKey is BKPPSOXVXIFHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-17(11-13-5-2-1-3-6-13)21-10-9-14-7-4-8-15-18(14)16(21)12-20-19(15)23/h1-8,16H,9-12H2,(H,20,23).
What are the key properties of 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one has a molecular weight of 306.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is sourced from PubChem (CID 23642205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).