[(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate

C12H20N2O5 — CID 90182519

IUPAC[(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\C(OC(=O)NC)CC(O)CC1
InChIInChI=1S/C12H20N2O5/c1-13-11(16)18-9-4-3-8(15)7-10(6-5-9)19-12(17)14-2/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,13,16)(H,14,17)/b6-5-
InChIKeyPWDRYNVZBYLLTM-WAYWQWQTSA-N
MW272.30 g/mol
LogP0.54
Rot. Bonds2

About [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate

[(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate (PubChem CID 90182519) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate
PubChem CID90182519
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name[(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\C(OC(=O)NC)CC(O)CC1
InChIInChI=1S/C12H20N2O5/c1-13-11(16)18-9-4-3-8(15)7-10(6-5-9)19-12(17)14-2/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,13,16)(H,14,17)/b6-5-
InChIKeyPWDRYNVZBYLLTM-WAYWQWQTSA-N
XLogP0.54
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate?
The IUPAC name of [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate (CID 90182519) is [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate.
What is the SMILES notation for [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate?
The canonical SMILES for [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate is CNC(=O)OC1/C=C\C(OC(=O)NC)CC(O)CC1.
What is the InChIKey of [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate?
The InChIKey is PWDRYNVZBYLLTM-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-13-11(16)18-9-4-3-8(15)7-10(6-5-9)19-12(17)14-2/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,13,16)(H,14,17)/b6-5-.
What are the key properties of [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate?
[(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate has a molecular weight of 272.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-hydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-methylcarbamate is sourced from PubChem (CID 90182519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).