1-iminoundec-1-en-3-one

C11H19NO — CID 23621438

IUPAC1-iminoundec-1-en-3-one
SMILESCCCCCCCCC(=O)C=C=N
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h9,12H,2-8H2,1H3
InChIKeyYKKAMDMDJUEZCM-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.11
Rot. Bonds8

About 1-iminoundec-1-en-3-one

1-iminoundec-1-en-3-one (PubChem CID 23621438) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-iminoundec-1-en-3-one.

Molecular Properties

Compound Name1-iminoundec-1-en-3-one
PubChem CID23621438
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-iminoundec-1-en-3-one
SMILESCCCCCCCCC(=O)C=C=N
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h9,12H,2-8H2,1H3
InChIKeyYKKAMDMDJUEZCM-UHFFFAOYSA-N
XLogP3.11
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.11
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-iminoundec-1-en-3-one?
The IUPAC name of 1-iminoundec-1-en-3-one (CID 23621438) is 1-iminoundec-1-en-3-one.
What is the SMILES notation for 1-iminoundec-1-en-3-one?
The canonical SMILES for 1-iminoundec-1-en-3-one is CCCCCCCCC(=O)C=C=N.
What is the InChIKey of 1-iminoundec-1-en-3-one?
The InChIKey is YKKAMDMDJUEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h9,12H,2-8H2,1H3.
What are the key properties of 1-iminoundec-1-en-3-one?
1-iminoundec-1-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminoundec-1-en-3-one is sourced from PubChem (CID 23621438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).