2-(diethylamino)cyclohepta-2,4,6-trien-1-one

C11H15NO — CID 15090540

IUPAC2-(diethylamino)cyclohepta-2,4,6-trien-1-one
SMILESCCN(CC)c1cccccc1=O
InChIInChI=1S/C11H15NO/c1-3-12(4-2)10-8-6-5-7-9-11(10)13/h5-9H,3-4H2,1-2H3
InChIKeyBVUJBJACPZUOLS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.89
Rot. Bonds3

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

2-(diethylamino)cyclohepta-2,4,6-trien-1-one (PubChem CID 15090540) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(diethylamino)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(diethylamino)cyclohepta-2,4,6-trien-1-one
PubChem CID15090540
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(diethylamino)cyclohepta-2,4,6-trien-1-one
SMILESCCN(CC)c1cccccc1=O
InChIInChI=1S/C11H15NO/c1-3-12(4-2)10-8-6-5-7-9-11(10)13/h5-9H,3-4H2,1-2H3
InChIKeyBVUJBJACPZUOLS-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(diethylamino)cyclohepta-2,4,6-trien-1-one (CID 15090540) is 2-(diethylamino)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(diethylamino)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(diethylamino)cyclohepta-2,4,6-trien-1-one is CCN(CC)c1cccccc1=O.
What is the InChIKey of 2-(diethylamino)cyclohepta-2,4,6-trien-1-one?
The InChIKey is BVUJBJACPZUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12(4-2)10-8-6-5-7-9-11(10)13/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)cyclohepta-2,4,6-trien-1-one?
2-(diethylamino)cyclohepta-2,4,6-trien-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15090540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).