[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate

C11H19NO2 — CID 121370332

IUPAC[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
SMILESCC(=O)OC1C/C=C\C(CN)CCC1
InChIInChI=1S/C11H19NO2/c1-9(13)14-11-6-2-4-10(8-12)5-3-7-11/h2,4,10-11H,3,5-8,12H2,1H3/b4-2-
InChIKeyGOFBLOBPAZHFDD-RQOWECAXSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds2

About [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate

[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate (PubChem CID 121370332) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
PubChem CID121370332
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
SMILESCC(=O)OC1C/C=C\C(CN)CCC1
InChIInChI=1S/C11H19NO2/c1-9(13)14-11-6-2-4-10(8-12)5-3-7-11/h2,4,10-11H,3,5-8,12H2,1H3/b4-2-
InChIKeyGOFBLOBPAZHFDD-RQOWECAXSA-N
XLogP1.62
TPSA52.32 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 ≤ 51.62
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 [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate?
The IUPAC name of [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate (CID 121370332) is [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate.
What is the SMILES notation for [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate?
The canonical SMILES for [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate is CC(=O)OC1C/C=C\C(CN)CCC1.
What is the InChIKey of [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate?
The InChIKey is GOFBLOBPAZHFDD-RQOWECAXSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(13)14-11-6-2-4-10(8-12)5-3-7-11/h2,4,10-11H,3,5-8,12H2,1H3/b4-2-.
What are the key properties of [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate?
[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate has a molecular weight of 197.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate is sourced from PubChem (CID 121370332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).