N-(3-chlorophenyl)-2,3-dihydroinden-1-imine

C15H12ClN — CID 145427056

IUPACN-(3-chlorophenyl)-2,3-dihydroinden-1-imine
SMILESClc1cccc(/N=C2\CCc3ccccc32)c1
InChIInChI=1S/C15H12ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2/b17-15+
InChIKeyPQXGXLYXXPJXJD-BMRADRMJSA-N
MW241.72 g/mol
LogP4.41
Rot. Bonds1

About N-(3-chlorophenyl)-2,3-dihydroinden-1-imine

N-(3-chlorophenyl)-2,3-dihydroinden-1-imine (PubChem CID 145427056) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,3-dihydroinden-1-imine
PubChem CID145427056
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC NameN-(3-chlorophenyl)-2,3-dihydroinden-1-imine
SMILESClc1cccc(/N=C2\CCc3ccccc32)c1
InChIInChI=1S/C15H12ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2/b17-15+
InChIKeyPQXGXLYXXPJXJD-BMRADRMJSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.41
H-Bond Donors ≤ 50
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 N-(3-chlorophenyl)-2,3-dihydroinden-1-imine?
The IUPAC name of N-(3-chlorophenyl)-2,3-dihydroinden-1-imine (CID 145427056) is N-(3-chlorophenyl)-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-(3-chlorophenyl)-2,3-dihydroinden-1-imine?
The canonical SMILES for N-(3-chlorophenyl)-2,3-dihydroinden-1-imine is Clc1cccc(/N=C2\CCc3ccccc32)c1.
What is the InChIKey of N-(3-chlorophenyl)-2,3-dihydroinden-1-imine?
The InChIKey is PQXGXLYXXPJXJD-BMRADRMJSA-N. The full InChI is InChI=1S/C15H12ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2/b17-15+.
What are the key properties of N-(3-chlorophenyl)-2,3-dihydroinden-1-imine?
N-(3-chlorophenyl)-2,3-dihydroinden-1-imine has a molecular weight of 241.72 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,3-dihydroinden-1-imine is sourced from PubChem (CID 145427056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).