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

C10H17NO2 — CID 90182522

IUPAC[(2E)-cyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\CCCCC1
InChIInChI=1S/C10H17NO2/c1-11-10(12)13-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)/b7-5-
InChIKeyCCSCDKPUAWPNTB-ALCCZGGFSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds1

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

[(2E)-cyclooct-2-en-1-yl] N-methylcarbamate (PubChem CID 90182522) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-cyclooct-2-en-1-yl] N-methylcarbamate
PubChem CID90182522
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(2E)-cyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\CCCCC1
InChIInChI=1S/C10H17NO2/c1-11-10(12)13-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)/b7-5-
InChIKeyCCSCDKPUAWPNTB-ALCCZGGFSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-cyclooct-2-en-1-yl] N-methylcarbamate?
The IUPAC name of [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate (CID 90182522) is [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate.
What is the SMILES notation for [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate?
The canonical SMILES for [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate is CNC(=O)OC1/C=C\CCCCC1.
What is the InChIKey of [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate?
The InChIKey is CCSCDKPUAWPNTB-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-10(12)13-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)/b7-5-.
What are the key properties of [(2E)-cyclooct-2-en-1-yl] N-methylcarbamate?
[(2E)-cyclooct-2-en-1-yl] N-methylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.23, 1 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-methylcarbamate is sourced from PubChem (CID 90182522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).