(4E)-2-aminocyclotridec-4-en-1-one

C13H23NO — CID 23513353

IUPAC(4E)-2-aminocyclotridec-4-en-1-one
SMILESNC1C/C=C/CCCCCCCCC1=O
InChIInChI=1S/C13H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(12)15/h6,8,12H,1-5,7,9-11,14H2/b8-6+
InChIKeyJWZKUZODDWVYCX-SOFGYWHQSA-N
MW209.33 g/mol
LogP2.96
Rot. Bonds

About (4E)-2-aminocyclotridec-4-en-1-one

(4E)-2-aminocyclotridec-4-en-1-one (PubChem CID 23513353) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4E)-2-aminocyclotridec-4-en-1-one.

Molecular Properties

Compound Name(4E)-2-aminocyclotridec-4-en-1-one
PubChem CID23513353
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4E)-2-aminocyclotridec-4-en-1-one
SMILESNC1C/C=C/CCCCCCCCC1=O
InChIInChI=1S/C13H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(12)15/h6,8,12H,1-5,7,9-11,14H2/b8-6+
InChIKeyJWZKUZODDWVYCX-SOFGYWHQSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.96
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 (4E)-2-aminocyclotridec-4-en-1-one?
The IUPAC name of (4E)-2-aminocyclotridec-4-en-1-one (CID 23513353) is (4E)-2-aminocyclotridec-4-en-1-one.
What is the SMILES notation for (4E)-2-aminocyclotridec-4-en-1-one?
The canonical SMILES for (4E)-2-aminocyclotridec-4-en-1-one is NC1C/C=C/CCCCCCCCC1=O.
What is the InChIKey of (4E)-2-aminocyclotridec-4-en-1-one?
The InChIKey is JWZKUZODDWVYCX-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(12)15/h6,8,12H,1-5,7,9-11,14H2/b8-6+.
What are the key properties of (4E)-2-aminocyclotridec-4-en-1-one?
(4E)-2-aminocyclotridec-4-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-aminocyclotridec-4-en-1-one is sourced from PubChem (CID 23513353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).