N-phenylcyclopentanimine

C11H13N — CID 11263654

IUPACN-phenylcyclopentanimine
SMILESc1ccc(N=C2CCCC2)cc1
InChIInChI=1S/C11H13N/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
InChIKeyRTRXYGSDWNVHBI-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.33
Rot. Bonds1

About N-phenylcyclopentanimine

N-phenylcyclopentanimine (PubChem CID 11263654) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-phenylcyclopentanimine.

Molecular Properties

Compound NameN-phenylcyclopentanimine
PubChem CID11263654
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-phenylcyclopentanimine
SMILESc1ccc(N=C2CCCC2)cc1
InChIInChI=1S/C11H13N/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
InChIKeyRTRXYGSDWNVHBI-UHFFFAOYSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenylcyclopentanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenylcyclopentanimine?
The IUPAC name of N-phenylcyclopentanimine (CID 11263654) is N-phenylcyclopentanimine.
What is the SMILES notation for N-phenylcyclopentanimine?
The canonical SMILES for N-phenylcyclopentanimine is c1ccc(N=C2CCCC2)cc1.
What is the InChIKey of N-phenylcyclopentanimine?
The InChIKey is RTRXYGSDWNVHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2.
What are the key properties of N-phenylcyclopentanimine?
N-phenylcyclopentanimine has a molecular weight of 159.23 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylcyclopentanimine is sourced from PubChem (CID 11263654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).