(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C19H18N2 — CID 23244045

IUPAC(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc([C@@H]2c3[nH]c4ccccc4c3[C@H]3CCN2C3)cc1
InChIInChI=1S/C19H18N2/c1-2-6-13(7-3-1)19-18-17(14-10-11-21(19)12-14)15-8-4-5-9-16(15)20-18/h1-9,14,19-20H,10-12H2/t14-,19+/m0/s1
InChIKeyWAIFDFTVGAZVPI-IFXJQAMLSA-N
MW274.37 g/mol
LogP4.06
Rot. Bonds1

About (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 23244045) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID23244045
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc([C@@H]2c3[nH]c4ccccc4c3[C@H]3CCN2C3)cc1
InChIInChI=1S/C19H18N2/c1-2-6-13(7-3-1)19-18-17(14-10-11-21(19)12-14)15-8-4-5-9-16(15)20-18/h1-9,14,19-20H,10-12H2/t14-,19+/m0/s1
InChIKeyWAIFDFTVGAZVPI-IFXJQAMLSA-N
XLogP4.06
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 23244045) is (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc([C@@H]2c3[nH]c4ccccc4c3[C@H]3CCN2C3)cc1.
What is the InChIKey of (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is WAIFDFTVGAZVPI-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-6-13(7-3-1)19-18-17(14-10-11-21(19)12-14)15-8-4-5-9-16(15)20-18/h1-9,14,19-20H,10-12H2/t14-,19+/m0/s1.
What are the key properties of (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 274.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 23244045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).