[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate

C10H17NO2 — CID 153422557

IUPAC[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1C/C=C\CCCC1
InChIInChI=1S/C10H17NO2/c1-11-10(12)13-9-7-5-3-2-4-6-8-9/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)/b5-3-
InChIKeyJGMJXLKFGLSSQF-HYXAFXHYSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds1

About [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate

[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate (PubChem CID 153422557) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
PubChem CID153422557
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1C/C=C\CCCC1
InChIInChI=1S/C10H17NO2/c1-11-10(12)13-9-7-5-3-2-4-6-8-9/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)/b5-3-
InChIKeyJGMJXLKFGLSSQF-HYXAFXHYSA-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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Related Compounds

cyclopentyl N-methylcarbamate
CID 23548767
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
2-[(3Z)-cyclooct-3-en-1-yl]oxyethanol
CID 169491130
(2S)-2,6-diamino-7-[(3Z)-cyclooct-3-en-1-yl]oxy-7-oxoheptanoic acid
CID 177126650
cyclohexyl N-(methylamino)carbamate
CID 143392202
1-cyclooct-3-en-1-ylethanone
CID 66747175
1-[(1R,3Z)-cyclooct-3-en-1-yl]ethanone
CID 175990240
cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
CID 58895178
(3E)-5-(methylcarbamoyloxy)cyclooct-3-ene-1-carboxylic acid
CID 90183096
acetic acid;cyclooct-3-en-1-ol
CID 71356178
[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate
CID 118460764

Frequently Asked Questions

What is the IUPAC name of [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate?
The IUPAC name of [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate (CID 153422557) is [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate.
What is the SMILES notation for [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate?
The canonical SMILES for [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate is CNC(=O)OC1C/C=C\CCCC1.
What is the InChIKey of [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate?
The InChIKey is JGMJXLKFGLSSQF-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-10(12)13-9-7-5-3-2-4-6-8-9/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)/b5-3-.
What are the key properties of [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate?
[(3E)-cyclooct-3-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 [(3E)-cyclooct-3-en-1-yl] N-methylcarbamate is sourced from PubChem (CID 153422557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).