[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate

C11H19NO2 — CID 129162304

IUPAC[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate
SMILESCNC1CC/C=C\C(OC(C)=O)CC1
InChIInChI=1S/C11H19NO2/c1-9(13)14-11-6-4-3-5-10(12-2)7-8-11/h4,6,10-12H,3,5,7-8H2,1-2H3/b6-4-
InChIKeySQEAWZKLSOLSCT-XQRVVYSFSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds2

About [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate

[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate (PubChem CID 129162304) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate
PubChem CID129162304
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate
SMILESCNC1CC/C=C\C(OC(C)=O)CC1
InChIInChI=1S/C11H19NO2/c1-9(13)14-11-6-4-3-5-10(12-2)7-8-11/h4,6,10-12H,3,5,7-8H2,1-2H3/b6-4-
InChIKeySQEAWZKLSOLSCT-XQRVVYSFSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
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)-6-(methylamino)cyclooct-2-en-1-yl] acetate?
The IUPAC name of [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate (CID 129162304) is [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate.
What is the SMILES notation for [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate?
The canonical SMILES for [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate is CNC1CC/C=C\C(OC(C)=O)CC1.
What is the InChIKey of [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate?
The InChIKey is SQEAWZKLSOLSCT-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(13)14-11-6-4-3-5-10(12-2)7-8-11/h4,6,10-12H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate?
[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate has a molecular weight of 197.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate is sourced from PubChem (CID 129162304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).