2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one

C10H13NO — CID 59061815

IUPAC2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one
SMILESCNC=CC=CC=C1CCC1=O
InChIInChI=1S/C10H13NO/c1-11-8-4-2-3-5-9-6-7-10(9)12/h2-5,8,11H,6-7H2,1H3
InChIKeyXLDLAFUZSINLOI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds3

About 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one

2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one (PubChem CID 59061815) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one.

Molecular Properties

Compound Name2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one
PubChem CID59061815
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one
SMILESCNC=CC=CC=C1CCC1=O
InChIInChI=1S/C10H13NO/c1-11-8-4-2-3-5-9-6-7-10(9)12/h2-5,8,11H,6-7H2,1H3
InChIKeyXLDLAFUZSINLOI-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one?
The IUPAC name of 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one (CID 59061815) is 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one.
What is the SMILES notation for 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one?
The canonical SMILES for 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one is CNC=CC=CC=C1CCC1=O.
What is the InChIKey of 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one?
The InChIKey is XLDLAFUZSINLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-8-4-2-3-5-9-6-7-10(9)12/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one?
2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)penta-2,4-dienylidene]cyclobutan-1-one is sourced from PubChem (CID 59061815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).