[(2E)-6-methylcyclooct-2-en-1-yl] carbamate

C10H17NO2 — CID 90182962

IUPAC[(2E)-6-methylcyclooct-2-en-1-yl] carbamate
SMILESCC1CC/C=C\C(OC(N)=O)CC1
InChIInChI=1S/C10H17NO2/c1-8-4-2-3-5-9(7-6-8)13-10(11)12/h3,5,8-9H,2,4,6-7H2,1H3,(H2,11,12)/b5-3-
InChIKeyXSOONPGGTOHVPA-HYXAFXHYSA-N
MW183.25 g/mol
LogP2.22
Rot. Bonds1

About [(2E)-6-methylcyclooct-2-en-1-yl] carbamate

[(2E)-6-methylcyclooct-2-en-1-yl] carbamate (PubChem CID 90182962) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(2E)-6-methylcyclooct-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[(2E)-6-methylcyclooct-2-en-1-yl] carbamate
PubChem CID90182962
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(2E)-6-methylcyclooct-2-en-1-yl] carbamate
SMILESCC1CC/C=C\C(OC(N)=O)CC1
InChIInChI=1S/C10H17NO2/c1-8-4-2-3-5-9(7-6-8)13-10(11)12/h3,5,8-9H,2,4,6-7H2,1H3,(H2,11,12)/b5-3-
InChIKeyXSOONPGGTOHVPA-HYXAFXHYSA-N
XLogP2.22
TPSA52.32 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 ≤ 52.22
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)-6-methylcyclooct-2-en-1-yl] carbamate?
The IUPAC name of [(2E)-6-methylcyclooct-2-en-1-yl] carbamate (CID 90182962) is [(2E)-6-methylcyclooct-2-en-1-yl] carbamate.
What is the SMILES notation for [(2E)-6-methylcyclooct-2-en-1-yl] carbamate?
The canonical SMILES for [(2E)-6-methylcyclooct-2-en-1-yl] carbamate is CC1CC/C=C\C(OC(N)=O)CC1.
What is the InChIKey of [(2E)-6-methylcyclooct-2-en-1-yl] carbamate?
The InChIKey is XSOONPGGTOHVPA-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-4-2-3-5-9(7-6-8)13-10(11)12/h3,5,8-9H,2,4,6-7H2,1H3,(H2,11,12)/b5-3-.
What are the key properties of [(2E)-6-methylcyclooct-2-en-1-yl] carbamate?
[(2E)-6-methylcyclooct-2-en-1-yl] carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-methylcyclooct-2-en-1-yl] carbamate is sourced from PubChem (CID 90182962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).