[(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate

C10H17NO3 — CID 90182620

IUPAC[(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\CCC(O)CC1
InChIInChI=1S/C10H17NO3/c1-11-10(13)14-9-5-3-2-4-8(12)6-7-9/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,11,13)/b5-3-
InChIKeyLOYNHPNWIGAHCV-HYXAFXHYSA-N
MW199.25 g/mol
LogP1.20
Rot. Bonds1

About [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate

[(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate (PubChem CID 90182620) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate
PubChem CID90182620
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\CCC(O)CC1
InChIInChI=1S/C10H17NO3/c1-11-10(13)14-9-5-3-2-4-8(12)6-7-9/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,11,13)/b5-3-
InChIKeyLOYNHPNWIGAHCV-HYXAFXHYSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.20
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)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
The IUPAC name of [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate (CID 90182620) is [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate.
What is the SMILES notation for [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
The canonical SMILES for [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate is CNC(=O)OC1/C=C\CCC(O)CC1.
What is the InChIKey of [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
The InChIKey is LOYNHPNWIGAHCV-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-10(13)14-9-5-3-2-4-8(12)6-7-9/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,11,13)/b5-3-.
What are the key properties of [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
[(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate has a molecular weight of 199.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-hydroxycyclooct-2-en-1-yl] N-methylcarbamate is sourced from PubChem (CID 90182620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).