(5E)-3-methoxy-1-azacyclotridec-5-en-2-one

C13H23NO2 — CID 132518911

IUPAC(5E)-3-methoxy-1-azacyclotridec-5-en-2-one
SMILESCOC1C/C=C/CCCCCCCNC1=O
InChIInChI=1S/C13H23NO2/c1-16-12-10-8-6-4-2-3-5-7-9-11-14-13(12)15/h6,8,12H,2-5,7,9-11H2,1H3,(H,14,15)/b8-6+
InChIKeyBRIFIONNXUOOIW-SOFGYWHQSA-N
MW225.33 g/mol
LogP2.42
Rot. Bonds1

About (5E)-3-methoxy-1-azacyclotridec-5-en-2-one

(5E)-3-methoxy-1-azacyclotridec-5-en-2-one (PubChem CID 132518911) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (5E)-3-methoxy-1-azacyclotridec-5-en-2-one.

Molecular Properties

Compound Name(5E)-3-methoxy-1-azacyclotridec-5-en-2-one
PubChem CID132518911
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(5E)-3-methoxy-1-azacyclotridec-5-en-2-one
SMILESCOC1C/C=C/CCCCCCCNC1=O
InChIInChI=1S/C13H23NO2/c1-16-12-10-8-6-4-2-3-5-7-9-11-14-13(12)15/h6,8,12H,2-5,7,9-11H2,1H3,(H,14,15)/b8-6+
InChIKeyBRIFIONNXUOOIW-SOFGYWHQSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E)-3-methoxy-1-azacyclotridec-5-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

3-Methoxy-1,3,4,7,8,9-hexahydro-2h-azonin-2-one
CID 129826253
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]-2-methoxyacetamide
CID 9885294
2-hydroxy-N-[(E)-octadec-9-enyl]propanamide
CID 23197749
2-hydroxy-N-octadec-9-enylpropanamide
CID 53747914
N-docos-13-enyl-2-hydroxypropanamide
CID 54039854
N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
CID 54380110
(2R)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide
CID 58361174
(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide
CID 58361179
(9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
CID 71108718
15-Propyl-1-oxa-4-azacyclopentadec-9-en-5-one
CID 78011016
N-erucyl lactamide
CID 86746756
2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide
CID 88460554

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methoxy-1-azacyclotridec-5-en-2-one?
The IUPAC name of (5E)-3-methoxy-1-azacyclotridec-5-en-2-one (CID 132518911) is (5E)-3-methoxy-1-azacyclotridec-5-en-2-one.
What is the SMILES notation for (5E)-3-methoxy-1-azacyclotridec-5-en-2-one?
The canonical SMILES for (5E)-3-methoxy-1-azacyclotridec-5-en-2-one is COC1C/C=C/CCCCCCCNC1=O.
What is the InChIKey of (5E)-3-methoxy-1-azacyclotridec-5-en-2-one?
The InChIKey is BRIFIONNXUOOIW-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-12-10-8-6-4-2-3-5-7-9-11-14-13(12)15/h6,8,12H,2-5,7,9-11H2,1H3,(H,14,15)/b8-6+.
What are the key properties of (5E)-3-methoxy-1-azacyclotridec-5-en-2-one?
(5E)-3-methoxy-1-azacyclotridec-5-en-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methoxy-1-azacyclotridec-5-en-2-one is sourced from PubChem (CID 132518911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).