(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane

C13H23NO — CID 163488564

IUPAC(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane
SMILESCCCCC[C@@]1(N=O)C[C@@]2(C)CC2C1C
InChIInChI=1S/C13H23NO/c1-4-5-6-7-13(14-15)9-12(3)8-11(12)10(13)2/h10-11H,4-9H2,1-3H3/t10?,11?,12-,13-/m1/s1
InChIKeyCKQHSOPEXWWZPT-FIYWTHMPSA-N
MW209.33 g/mol
LogP4.14
Rot. Bonds5

About (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane

(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane (PubChem CID 163488564) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane
PubChem CID163488564
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane
SMILESCCCCC[C@@]1(N=O)C[C@@]2(C)CC2C1C
InChIInChI=1S/C13H23NO/c1-4-5-6-7-13(14-15)9-12(3)8-11(12)10(13)2/h10-11H,4-9H2,1-3H3/t10?,11?,12-,13-/m1/s1
InChIKeyCKQHSOPEXWWZPT-FIYWTHMPSA-N
XLogP4.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane 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-butyl-1-methyl-1-nitrosocyclopropane
CID 88564371
8-methyl-8-pentyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 175589462
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
CID 163618137
3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane
CID 123466249
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
2-bromo-1,1-dihexylcyclopropane
CID 71500159
2,3-dimethyl-2-octylcyclohexan-1-one
CID 66609524
2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane
CID 123156811
CID 123789898
CID 123789898

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane?
The IUPAC name of (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane (CID 163488564) is (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane?
The canonical SMILES for (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane is CCCCC[C@@]1(N=O)C[C@@]2(C)CC2C1C.
What is the InChIKey of (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane?
The InChIKey is CKQHSOPEXWWZPT-FIYWTHMPSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-6-7-13(14-15)9-12(3)8-11(12)10(13)2/h10-11H,4-9H2,1-3H3/t10?,11?,12-,13-/m1/s1.
What are the key properties of (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane?
(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane has a molecular weight of 209.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane is sourced from PubChem (CID 163488564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).