2-nitrosoethylcyclooctane

C10H19NO — CID 129141307

IUPAC2-nitrosoethylcyclooctane
SMILESO=NCCC1CCCCCCC1
InChIInChI=1S/C10H19NO/c12-11-9-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2
InChIKeyNSEUEQZBFPDCTK-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.50
Rot. Bonds3

About 2-nitrosoethylcyclooctane

2-nitrosoethylcyclooctane (PubChem CID 129141307) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-nitrosoethylcyclooctane.

Molecular Properties

Compound Name2-nitrosoethylcyclooctane
PubChem CID129141307
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-nitrosoethylcyclooctane
SMILESO=NCCC1CCCCCCC1
InChIInChI=1S/C10H19NO/c12-11-9-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2
InChIKeyNSEUEQZBFPDCTK-UHFFFAOYSA-N
XLogP3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-nitrosoethylcyclooctane with MolForge

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

Launch Full Analysis

Related Compounds

2-nitrosoethylcyclotridecane
CID 138619052
nitrosomethylcyclotetracontane
CID 146552896
2-fluoroethylcyclodecane
CID 70177675
2-cyclohexylethyl nitrite
CID 125485427
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
3-cyclobutylpropylcyclohexane
CID 54165208
N-(2-cyclohexylethyl)-1-nitropropan-2-imine
CID 90831723
formaldehyde;propylcyclohexane
CID 174845889
propylcyclotetradecane
CID 90991550
2-cycloheptylethylsilane
CID 161372645

Frequently Asked Questions

What is the IUPAC name of 2-nitrosoethylcyclooctane?
The IUPAC name of 2-nitrosoethylcyclooctane (CID 129141307) is 2-nitrosoethylcyclooctane.
What is the SMILES notation for 2-nitrosoethylcyclooctane?
The canonical SMILES for 2-nitrosoethylcyclooctane is O=NCCC1CCCCCCC1.
What is the InChIKey of 2-nitrosoethylcyclooctane?
The InChIKey is NSEUEQZBFPDCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-11-9-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2.
What are the key properties of 2-nitrosoethylcyclooctane?
2-nitrosoethylcyclooctane has a molecular weight of 169.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoethylcyclooctane is sourced from PubChem (CID 129141307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).