3-(dibutylamino)cyclohepta-2,4,6-trien-1-one

C15H23NO — CID 21321486

IUPAC3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
SMILESCCCCN(CCCC)c1ccccc(=O)c1
InChIInChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)14-9-7-8-10-15(17)13-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyJQAHXLJGRSMOMW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.45
Rot. Bonds7

About 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one

3-(dibutylamino)cyclohepta-2,4,6-trien-1-one (PubChem CID 21321486) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
PubChem CID21321486
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
SMILESCCCCN(CCCC)c1ccccc(=O)c1
InChIInChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)14-9-7-8-10-15(17)13-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyJQAHXLJGRSMOMW-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one (CID 21321486) is 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one is CCCCN(CCCC)c1ccccc(=O)c1.
What is the InChIKey of 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one?
The InChIKey is JQAHXLJGRSMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)14-9-7-8-10-15(17)13-14/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one?
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one has a molecular weight of 233.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 21321486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).