cyclopentyl N-ethylidenecarbamate;methane;morpholine

C13H26N2O3 — CID 142239577

IUPACcyclopentyl N-ethylidenecarbamate;methane;morpholine
SMILESC.C1COCCN1.CC=NC(=O)OC1CCCC1
InChIInChI=1S/C8H13NO2.C4H9NO.CH4/c1-2-9-8(10)11-7-5-3-4-6-7;1-3-6-4-2-5-1;/h2,7H,3-6H2,1H3;5H,1-4H2;1H4
InChIKeyQJOZZTGXVIJIAQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.40
Rot. Bonds1

About cyclopentyl N-ethylidenecarbamate;methane;morpholine

cyclopentyl N-ethylidenecarbamate;methane;morpholine (PubChem CID 142239577) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is cyclopentyl N-ethylidenecarbamate;methane;morpholine.

Molecular Properties

Compound Namecyclopentyl N-ethylidenecarbamate;methane;morpholine
PubChem CID142239577
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namecyclopentyl N-ethylidenecarbamate;methane;morpholine
SMILESC.C1COCCN1.CC=NC(=O)OC1CCCC1
InChIInChI=1S/C8H13NO2.C4H9NO.CH4/c1-2-9-8(10)11-7-5-3-4-6-7;1-3-6-4-2-5-1;/h2,7H,3-6H2,1H3;5H,1-4H2;1H4
InChIKeyQJOZZTGXVIJIAQ-UHFFFAOYSA-N
XLogP2.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine
CID 142227573
cyclohexyl N-ethylidenecarbamate
CID 56637848
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
CID 87713044
CID 87713044
cyclohexyl N-[(4-methylphenyl)methylidene]carbamate
CID 2759800
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
formic acid;morpholine
CID 13094120
cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride
CID 174595921
cyclopropane;oxan-4-yl acetate
CID 69401848
ethane;morpholine
CID 91516807
(6-acetyloxycyclodecyl) acetate
CID 539578

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-ethylidenecarbamate;methane;morpholine?
The IUPAC name of cyclopentyl N-ethylidenecarbamate;methane;morpholine (CID 142239577) is cyclopentyl N-ethylidenecarbamate;methane;morpholine.
What is the SMILES notation for cyclopentyl N-ethylidenecarbamate;methane;morpholine?
The canonical SMILES for cyclopentyl N-ethylidenecarbamate;methane;morpholine is C.C1COCCN1.CC=NC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-ethylidenecarbamate;methane;morpholine?
The InChIKey is QJOZZTGXVIJIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C4H9NO.CH4/c1-2-9-8(10)11-7-5-3-4-6-7;1-3-6-4-2-5-1;/h2,7H,3-6H2,1H3;5H,1-4H2;1H4.
What are the key properties of cyclopentyl N-ethylidenecarbamate;methane;morpholine?
cyclopentyl N-ethylidenecarbamate;methane;morpholine has a molecular weight of 258.36 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-ethylidenecarbamate;methane;morpholine is sourced from PubChem (CID 142239577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).