cyclopentyl N-cyclohexyloxycarbonyliminocarbamate

C13H20N2O4 — CID 140646211

IUPACcyclopentyl N-cyclohexyloxycarbonyliminocarbamate
SMILESO=C(N=NC(=O)OC1CCCC1)OC1CCCCC1
InChIInChI=1S/C13H20N2O4/c16-12(18-10-6-2-1-3-7-10)14-15-13(17)19-11-8-4-5-9-11/h10-11H,1-9H2
InChIKeyLZZDEKRYNWIOFP-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.99
Rot. Bonds2

About cyclopentyl N-cyclohexyloxycarbonyliminocarbamate

cyclopentyl N-cyclohexyloxycarbonyliminocarbamate (PubChem CID 140646211) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is cyclopentyl N-cyclohexyloxycarbonyliminocarbamate.

Molecular Properties

Compound Namecyclopentyl N-cyclohexyloxycarbonyliminocarbamate
PubChem CID140646211
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namecyclopentyl N-cyclohexyloxycarbonyliminocarbamate
SMILESO=C(N=NC(=O)OC1CCCC1)OC1CCCCC1
InChIInChI=1S/C13H20N2O4/c16-12(18-10-6-2-1-3-7-10)14-15-13(17)19-11-8-4-5-9-11/h10-11H,1-9H2
InChIKeyLZZDEKRYNWIOFP-UHFFFAOYSA-N
XLogP3.99
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646285
cycloheptadecyl acetate
CID 57215828
tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646307
cyclohexyl N-ethylidenecarbamate
CID 56637848
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578
lithium;carbanide;cyclohexyl acetate
CID 158677387
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-cyclohexyloxycarbonyliminocarbamate?
The IUPAC name of cyclopentyl N-cyclohexyloxycarbonyliminocarbamate (CID 140646211) is cyclopentyl N-cyclohexyloxycarbonyliminocarbamate.
What is the SMILES notation for cyclopentyl N-cyclohexyloxycarbonyliminocarbamate?
The canonical SMILES for cyclopentyl N-cyclohexyloxycarbonyliminocarbamate is O=C(N=NC(=O)OC1CCCC1)OC1CCCCC1.
What is the InChIKey of cyclopentyl N-cyclohexyloxycarbonyliminocarbamate?
The InChIKey is LZZDEKRYNWIOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-12(18-10-6-2-1-3-7-10)14-15-13(17)19-11-8-4-5-9-11/h10-11H,1-9H2.
What are the key properties of cyclopentyl N-cyclohexyloxycarbonyliminocarbamate?
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate has a molecular weight of 268.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-cyclohexyloxycarbonyliminocarbamate is sourced from PubChem (CID 140646211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).