[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate

C14H24N2O3 — CID 90184401

IUPAC[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1/C=C\CCCCC1CC(=O)NC
InChIInChI=1S/C14H24N2O3/c1-3-16-14(18)19-12-9-7-5-4-6-8-11(12)10-13(17)15-2/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,17)(H,16,18)/b9-7-
InChIKeyWYDAMRBXPFELGR-CLFYSBASSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds4

About [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate

[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate (PubChem CID 90184401) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate
PubChem CID90184401
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1/C=C\CCCCC1CC(=O)NC
InChIInChI=1S/C14H24N2O3/c1-3-16-14(18)19-12-9-7-5-4-6-8-11(12)10-13(17)15-2/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,17)(H,16,18)/b9-7-
InChIKeyWYDAMRBXPFELGR-CLFYSBASSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate?
The IUPAC name of [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate (CID 90184401) is [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate.
What is the SMILES notation for [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate?
The canonical SMILES for [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate is CCNC(=O)OC1/C=C\CCCCC1CC(=O)NC.
What is the InChIKey of [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate?
The InChIKey is WYDAMRBXPFELGR-CLFYSBASSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-16-14(18)19-12-9-7-5-4-6-8-11(12)10-13(17)15-2/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,17)(H,16,18)/b9-7-.
What are the key properties of [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate?
[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate has a molecular weight of 268.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate is sourced from PubChem (CID 90184401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).