[(2E)-4-methoxycyclooct-2-en-1-yl] carbamate

C10H17NO3 — CID 166646410

IUPAC[(2E)-4-methoxycyclooct-2-en-1-yl] carbamate
SMILESCOC1/C=C\C(OC(N)=O)CCCC1
InChIInChI=1S/C10H17NO3/c1-13-8-4-2-3-5-9(7-6-8)14-10(11)12/h6-9H,2-5H2,1H3,(H2,11,12)/b7-6-
InChIKeyZSXJVXPILUAOTG-SREVYHEPSA-N
MW199.25 g/mol
LogP1.60
Rot. Bonds2

About [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate

[(2E)-4-methoxycyclooct-2-en-1-yl] carbamate (PubChem CID 166646410) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[(2E)-4-methoxycyclooct-2-en-1-yl] carbamate
PubChem CID166646410
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(2E)-4-methoxycyclooct-2-en-1-yl] carbamate
SMILESCOC1/C=C\C(OC(N)=O)CCCC1
InChIInChI=1S/C10H17NO3/c1-13-8-4-2-3-5-9(7-6-8)14-10(11)12/h6-9H,2-5H2,1H3,(H2,11,12)/b7-6-
InChIKeyZSXJVXPILUAOTG-SREVYHEPSA-N
XLogP1.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
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)-4-methoxycyclooct-2-en-1-yl] carbamate?
The IUPAC name of [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate (CID 166646410) is [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate.
What is the SMILES notation for [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate?
The canonical SMILES for [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate is COC1/C=C\C(OC(N)=O)CCCC1.
What is the InChIKey of [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate?
The InChIKey is ZSXJVXPILUAOTG-SREVYHEPSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-8-4-2-3-5-9(7-6-8)14-10(11)12/h6-9H,2-5H2,1H3,(H2,11,12)/b7-6-.
What are the key properties of [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate?
[(2E)-4-methoxycyclooct-2-en-1-yl] carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-methoxycyclooct-2-en-1-yl] carbamate is sourced from PubChem (CID 166646410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).