(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one

C17H15N3O — CID 10084879

IUPAC(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
SMILESN[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O
InChIInChI=1S/C17H15N3O/c18-16-17(21)20-10-9-12-7-4-8-13(15(12)20)14(19-16)11-5-2-1-3-6-11/h1-8,16H,9-10,18H2/t16-/m1/s1
InChIKeyMORIYLHQIVTWAP-MRXNPFEDSA-N
MW277.33 g/mol
LogP1.71
Rot. Bonds1

About (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one

(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one (PubChem CID 10084879) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one.

Molecular Properties

Compound Name(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
PubChem CID10084879
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
SMILESN[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O
InChIInChI=1S/C17H15N3O/c18-16-17(21)20-10-9-12-7-4-8-13(15(12)20)14(19-16)11-5-2-1-3-6-11/h1-8,16H,9-10,18H2/t16-/m1/s1
InChIKeyMORIYLHQIVTWAP-MRXNPFEDSA-N
XLogP1.71
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
The IUPAC name of (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one (CID 10084879) is (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one.
What is the SMILES notation for (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
The canonical SMILES for (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one is N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O.
What is the InChIKey of (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
The InChIKey is MORIYLHQIVTWAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N3O/c18-16-17(21)20-10-9-12-7-4-8-13(15(12)20)14(19-16)11-5-2-1-3-6-11/h1-8,16H,9-10,18H2/t16-/m1/s1.
What are the key properties of (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one has a molecular weight of 277.33 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one is sourced from PubChem (CID 10084879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).