[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate

C13H23NO2 — CID 155745211

IUPAC[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)OC1/C=C\CCCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-11-14-13(15)16-12-9-7-5-4-6-8-10-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,14,15)/b9-7-
InChIKeyQHCIIKCIDIJUDD-CLFYSBASSA-N
MW225.33 g/mol
LogP3.40
Rot. Bonds4

About [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate

[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate (PubChem CID 155745211) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate.

Molecular Properties

Compound Name[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
PubChem CID155745211
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)OC1/C=C\CCCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-11-14-13(15)16-12-9-7-5-4-6-8-10-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,14,15)/b9-7-
InChIKeyQHCIIKCIDIJUDD-CLFYSBASSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-cyclooct-2-en-1-yl] N-[(5R)-6-iodo-5-methyl-6-oxohexyl]carbamate
CID 90184299
(2S)-2-amino-6-[[(1S,2E)-cyclooct-2-en-1-yl]oxycarbonylamino]hexanoic acid
CID 78582603
[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 169450345
[(2E)-cyclooct-2-en-1-yl] N-[3-[[4-(ethylamino)-6-methyl-5-oxooctanoyl]amino]propyl]carbamate;ethane
CID 178163439
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
cyclopropyl N-butylcarbamate
CID 165447718
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381
cyclohex-2-en-1-yl propanoate
CID 10986464
cyclopentyl N-(3-propylsulfanylpropyl)carbamate
CID 141077176

Frequently Asked Questions

What is the IUPAC name of [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate?
The IUPAC name of [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate (CID 155745211) is [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate.
What is the SMILES notation for [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate?
The canonical SMILES for [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate is CCCCNC(=O)OC1/C=C\CCCCC1.
What is the InChIKey of [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate?
The InChIKey is QHCIIKCIDIJUDD-CLFYSBASSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-11-14-13(15)16-12-9-7-5-4-6-8-10-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,14,15)/b9-7-.
What are the key properties of [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate?
[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-cyclooct-2-en-1-yl] N-butylcarbamate is sourced from PubChem (CID 155745211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).