2-butyl-5-nitroso-1-benzofuran

C12H13NO2 — CID 91555766

IUPAC2-butyl-5-nitroso-1-benzofuran
SMILESCCCCc1cc2cc(N=O)ccc2o1
InChIInChI=1S/C12H13NO2/c1-2-3-4-11-8-9-7-10(13-14)5-6-12(9)15-11/h5-8H,2-4H2,1H3
InChIKeyXCUYVSCZLQAGKL-UHFFFAOYSA-N
MW203.24 g/mol
LogP4.17
Rot. Bonds4

About 2-butyl-5-nitroso-1-benzofuran

2-butyl-5-nitroso-1-benzofuran (PubChem CID 91555766) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-butyl-5-nitroso-1-benzofuran.

Molecular Properties

Compound Name2-butyl-5-nitroso-1-benzofuran
PubChem CID91555766
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-butyl-5-nitroso-1-benzofuran
SMILESCCCCc1cc2cc(N=O)ccc2o1
InChIInChI=1S/C12H13NO2/c1-2-3-4-11-8-9-7-10(13-14)5-6-12(9)15-11/h5-8H,2-4H2,1H3
InChIKeyXCUYVSCZLQAGKL-UHFFFAOYSA-N
XLogP4.17
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-5-nitroso-1-benzofuran 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 2-butyl-5-nitroso-1-benzofuran?
The IUPAC name of 2-butyl-5-nitroso-1-benzofuran (CID 91555766) is 2-butyl-5-nitroso-1-benzofuran.
What is the SMILES notation for 2-butyl-5-nitroso-1-benzofuran?
The canonical SMILES for 2-butyl-5-nitroso-1-benzofuran is CCCCc1cc2cc(N=O)ccc2o1.
What is the InChIKey of 2-butyl-5-nitroso-1-benzofuran?
The InChIKey is XCUYVSCZLQAGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-4-11-8-9-7-10(13-14)5-6-12(9)15-11/h5-8H,2-4H2,1H3.
What are the key properties of 2-butyl-5-nitroso-1-benzofuran?
2-butyl-5-nitroso-1-benzofuran has a molecular weight of 203.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-nitroso-1-benzofuran is sourced from PubChem (CID 91555766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).