1-(5-methylideneoct-7-enylamino)hex-5-en-2-one

C15H25NO — CID 142069621

IUPAC1-(5-methylideneoct-7-enylamino)hex-5-en-2-one
SMILESC=CCCC(=O)CNCCCCC(=C)CC=C
InChIInChI=1S/C15H25NO/c1-4-6-11-15(17)13-16-12-8-7-10-14(3)9-5-2/h4-5,16H,1-3,6-13H2
InChIKeyUIQBHKMGRMZVCI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds12

About 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one

1-(5-methylideneoct-7-enylamino)hex-5-en-2-one (PubChem CID 142069621) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one.

Molecular Properties

Compound Name1-(5-methylideneoct-7-enylamino)hex-5-en-2-one
PubChem CID142069621
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(5-methylideneoct-7-enylamino)hex-5-en-2-one
SMILESC=CCCC(=O)CNCCCCC(=C)CC=C
InChIInChI=1S/C15H25NO/c1-4-6-11-15(17)13-16-12-8-7-10-14(3)9-5-2/h4-5,16H,1-3,6-13H2
InChIKeyUIQBHKMGRMZVCI-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one?
The IUPAC name of 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one (CID 142069621) is 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one.
What is the SMILES notation for 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one?
The canonical SMILES for 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one is C=CCCC(=O)CNCCCCC(=C)CC=C.
What is the InChIKey of 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one?
The InChIKey is UIQBHKMGRMZVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-11-15(17)13-16-12-8-7-10-14(3)9-5-2/h4-5,16H,1-3,6-13H2.
What are the key properties of 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one?
1-(5-methylideneoct-7-enylamino)hex-5-en-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.41, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylideneoct-7-enylamino)hex-5-en-2-one is sourced from PubChem (CID 142069621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).