N-(oxiran-2-yl)-N-phenyloxiran-2-amine

C10H11NO2 — CID 123534845

IUPACN-(oxiran-2-yl)-N-phenyloxiran-2-amine
SMILESc1ccc(N(C2CO2)C2CO2)cc1
InChIInChI=1S/C10H11NO2/c1-2-4-8(5-3-1)11(9-6-12-9)10-7-13-10/h1-5,9-10H,6-7H2
InChIKeyVKFXAOPHNXSNKA-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.21
Rot. Bonds3

About N-(oxiran-2-yl)-N-phenyloxiran-2-amine

N-(oxiran-2-yl)-N-phenyloxiran-2-amine (PubChem CID 123534845) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(oxiran-2-yl)-N-phenyloxiran-2-amine.

Molecular Properties

Compound NameN-(oxiran-2-yl)-N-phenyloxiran-2-amine
PubChem CID123534845
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-(oxiran-2-yl)-N-phenyloxiran-2-amine
SMILESc1ccc(N(C2CO2)C2CO2)cc1
InChIInChI=1S/C10H11NO2/c1-2-4-8(5-3-1)11(9-6-12-9)10-7-13-10/h1-5,9-10H,6-7H2
InChIKeyVKFXAOPHNXSNKA-UHFFFAOYSA-N
XLogP1.21
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(oxiran-2-yl)-N-phenyloxiran-2-amine 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-(oxiran-2-yl)-N-phenyloxiran-2-amine?
The IUPAC name of N-(oxiran-2-yl)-N-phenyloxiran-2-amine (CID 123534845) is N-(oxiran-2-yl)-N-phenyloxiran-2-amine.
What is the SMILES notation for N-(oxiran-2-yl)-N-phenyloxiran-2-amine?
The canonical SMILES for N-(oxiran-2-yl)-N-phenyloxiran-2-amine is c1ccc(N(C2CO2)C2CO2)cc1.
What is the InChIKey of N-(oxiran-2-yl)-N-phenyloxiran-2-amine?
The InChIKey is VKFXAOPHNXSNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-4-8(5-3-1)11(9-6-12-9)10-7-13-10/h1-5,9-10H,6-7H2.
What are the key properties of N-(oxiran-2-yl)-N-phenyloxiran-2-amine?
N-(oxiran-2-yl)-N-phenyloxiran-2-amine has a molecular weight of 177.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-yl)-N-phenyloxiran-2-amine is sourced from PubChem (CID 123534845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).