3-phenyl-2,3-dihydroinden-1-imine

C15H13N — CID 89129841

IUPAC3-phenyl-2,3-dihydroinden-1-imine
SMILES[H]/N=C1\CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13N/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14,16H,10H2/b16-15+
InChIKeyHMXQAUVHVCOCNX-FOCLMDBBSA-N
MW207.28 g/mol
LogP3.59
Rot. Bonds1

About 3-phenyl-2,3-dihydroinden-1-imine

3-phenyl-2,3-dihydroinden-1-imine (PubChem CID 89129841) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-phenyl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name3-phenyl-2,3-dihydroinden-1-imine
PubChem CID89129841
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-phenyl-2,3-dihydroinden-1-imine
SMILES[H]/N=C1\CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13N/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14,16H,10H2/b16-15+
InChIKeyHMXQAUVHVCOCNX-FOCLMDBBSA-N
XLogP3.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,3-dihydroinden-1-imine?
The IUPAC name of 3-phenyl-2,3-dihydroinden-1-imine (CID 89129841) is 3-phenyl-2,3-dihydroinden-1-imine.
What is the SMILES notation for 3-phenyl-2,3-dihydroinden-1-imine?
The canonical SMILES for 3-phenyl-2,3-dihydroinden-1-imine is [H]/N=C1\CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyl-2,3-dihydroinden-1-imine?
The InChIKey is HMXQAUVHVCOCNX-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H13N/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14,16H,10H2/b16-15+.
What are the key properties of 3-phenyl-2,3-dihydroinden-1-imine?
3-phenyl-2,3-dihydroinden-1-imine has a molecular weight of 207.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 89129841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).