1-iminotetradec-1-en-3-one

C14H25NO — CID 23620746

IUPAC1-iminotetradec-1-en-3-one
SMILESCCCCCCCCCCCC(=O)C=C=N
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h12,15H,2-11H2,1H3
InChIKeySNKDXPUIZUMPPV-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.28
Rot. Bonds11

About 1-iminotetradec-1-en-3-one

1-iminotetradec-1-en-3-one (PubChem CID 23620746) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-iminotetradec-1-en-3-one.

Molecular Properties

Compound Name1-iminotetradec-1-en-3-one
PubChem CID23620746
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-iminotetradec-1-en-3-one
SMILESCCCCCCCCCCCC(=O)C=C=N
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h12,15H,2-11H2,1H3
InChIKeySNKDXPUIZUMPPV-UHFFFAOYSA-N
XLogP4.28
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iminotetradec-1-en-3-one?
The IUPAC name of 1-iminotetradec-1-en-3-one (CID 23620746) is 1-iminotetradec-1-en-3-one.
What is the SMILES notation for 1-iminotetradec-1-en-3-one?
The canonical SMILES for 1-iminotetradec-1-en-3-one is CCCCCCCCCCCC(=O)C=C=N.
What is the InChIKey of 1-iminotetradec-1-en-3-one?
The InChIKey is SNKDXPUIZUMPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h12,15H,2-11H2,1H3.
What are the key properties of 1-iminotetradec-1-en-3-one?
1-iminotetradec-1-en-3-one has a molecular weight of 223.36 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminotetradec-1-en-3-one is sourced from PubChem (CID 23620746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).