(8E)-1-azacyclotetradec-8-en-2-one

C13H23NO — CID 102124458

IUPAC(8E)-1-azacyclotetradec-8-en-2-one
SMILESO=C1CCCCC/C=C/CCCCCN1
InChIInChI=1S/C13H23NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-13/h1-2H,3-12H2,(H,14,15)/b2-1+
InChIKeyCNZWOMVOSZNUSO-OWOJBTEDSA-N
MW209.33 g/mol
LogP3.18
Rot. Bonds

About (8E)-1-azacyclotetradec-8-en-2-one

(8E)-1-azacyclotetradec-8-en-2-one (PubChem CID 102124458) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (8E)-1-azacyclotetradec-8-en-2-one.

Molecular Properties

Compound Name(8E)-1-azacyclotetradec-8-en-2-one
PubChem CID102124458
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(8E)-1-azacyclotetradec-8-en-2-one
SMILESO=C1CCCCC/C=C/CCCCCN1
InChIInChI=1S/C13H23NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-13/h1-2H,3-12H2,(H,14,15)/b2-1+
InChIKeyCNZWOMVOSZNUSO-OWOJBTEDSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8E)-1-azacyclotetradec-8-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-azacyclohexadec-6-en-2-one
CID 71076499
azepan-2-one;cyclohexane
CID 70248400
azocan-2-one
CID 12657
azacyclotetracosan-2-one
CID 102100276
magnesium azepan-2-one
CID 18987030
azepan-2-one;pyrrolidin-2-one
CID 22023756
bis(azepan-2-one);dihydrochloride
CID 158190902
CID 70405773
CID 70405773
CID 176950935
CID 176950935
azepan-2-one;ethane
CID 91592472
piperidin-2-one;dihydrate
CID 78060658
CID 77217086
CID 77217086

Frequently Asked Questions

What is the IUPAC name of (8E)-1-azacyclotetradec-8-en-2-one?
The IUPAC name of (8E)-1-azacyclotetradec-8-en-2-one (CID 102124458) is (8E)-1-azacyclotetradec-8-en-2-one.
What is the SMILES notation for (8E)-1-azacyclotetradec-8-en-2-one?
The canonical SMILES for (8E)-1-azacyclotetradec-8-en-2-one is O=C1CCCCC/C=C/CCCCCN1.
What is the InChIKey of (8E)-1-azacyclotetradec-8-en-2-one?
The InChIKey is CNZWOMVOSZNUSO-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-13/h1-2H,3-12H2,(H,14,15)/b2-1+.
What are the key properties of (8E)-1-azacyclotetradec-8-en-2-one?
(8E)-1-azacyclotetradec-8-en-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-1-azacyclotetradec-8-en-2-one is sourced from PubChem (CID 102124458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).