ethane;2-methyl-5-(2-nitrosophenyl)furan

C13H15NO2 — CID 142275961

IUPACethane;2-methyl-5-(2-nitrosophenyl)furan
SMILESCC.Cc1ccc(-c2ccccc2N=O)o1
InChIInChI=1S/C11H9NO2.C2H6/c1-8-6-7-11(14-8)9-4-2-3-5-10(9)12-13;1-2/h2-7H,1H3;1-2H3
InChIKeyAACKZMSCGQWCHA-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.68
Rot. Bonds2

About ethane;2-methyl-5-(2-nitrosophenyl)furan

ethane;2-methyl-5-(2-nitrosophenyl)furan (PubChem CID 142275961) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethane;2-methyl-5-(2-nitrosophenyl)furan.

Molecular Properties

Compound Nameethane;2-methyl-5-(2-nitrosophenyl)furan
PubChem CID142275961
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethane;2-methyl-5-(2-nitrosophenyl)furan
SMILESCC.Cc1ccc(-c2ccccc2N=O)o1
InChIInChI=1S/C11H9NO2.C2H6/c1-8-6-7-11(14-8)9-4-2-3-5-10(9)12-13;1-2/h2-7H,1H3;1-2H3
InChIKeyAACKZMSCGQWCHA-UHFFFAOYSA-N
XLogP4.68
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-methyl-5-(2-nitrosophenyl)furan 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 ethane;2-methyl-5-(2-nitrosophenyl)furan?
The IUPAC name of ethane;2-methyl-5-(2-nitrosophenyl)furan (CID 142275961) is ethane;2-methyl-5-(2-nitrosophenyl)furan.
What is the SMILES notation for ethane;2-methyl-5-(2-nitrosophenyl)furan?
The canonical SMILES for ethane;2-methyl-5-(2-nitrosophenyl)furan is CC.Cc1ccc(-c2ccccc2N=O)o1.
What is the InChIKey of ethane;2-methyl-5-(2-nitrosophenyl)furan?
The InChIKey is AACKZMSCGQWCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.C2H6/c1-8-6-7-11(14-8)9-4-2-3-5-10(9)12-13;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(2-nitrosophenyl)furan?
ethane;2-methyl-5-(2-nitrosophenyl)furan has a molecular weight of 217.27 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(2-nitrosophenyl)furan is sourced from PubChem (CID 142275961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).