(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate

C11H17NO3 — CID 87200662

IUPAC(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate
SMILESCC(=O)OC1(N=O)C2CCCC1CCC2
InChIInChI=1S/C11H17NO3/c1-8(13)15-11(12-14)9-4-2-5-10(11)7-3-6-9/h9-10H,2-7H2,1H3
InChIKeyWWKWUAPNDXEJLP-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.61
Rot. Bonds2

About (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate

(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate (PubChem CID 87200662) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate.

Molecular Properties

Compound Name(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate
PubChem CID87200662
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate
SMILESCC(=O)OC1(N=O)C2CCCC1CCC2
InChIInChI=1S/C11H17NO3/c1-8(13)15-11(12-14)9-4-2-5-10(11)7-3-6-9/h9-10H,2-7H2,1H3
InChIKeyWWKWUAPNDXEJLP-UHFFFAOYSA-N
XLogP2.61
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate 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 (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate?
The IUPAC name of (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate (CID 87200662) is (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate.
What is the SMILES notation for (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate?
The canonical SMILES for (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate is CC(=O)OC1(N=O)C2CCCC1CCC2.
What is the InChIKey of (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate?
The InChIKey is WWKWUAPNDXEJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)15-11(12-14)9-4-2-5-10(11)7-3-6-9/h9-10H,2-7H2,1H3.
What are the key properties of (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate?
(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate has a molecular weight of 211.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate is sourced from PubChem (CID 87200662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).