2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one

C11H16N2O — CID 17665

IUPAC2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
SMILESCN(C)CCNc1cccccc1=O
InChIInChI=1S/C11H16N2O/c1-13(2)9-8-12-10-6-4-3-5-7-11(10)14/h3-7H,8-9H2,1-2H3,(H,12,14)
InChIKeyRZPLODMPJDDPCO-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.02
Rot. Bonds4

About 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one

2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one (PubChem CID 17665) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
PubChem CID17665
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
SMILESCN(C)CCNc1cccccc1=O
InChIInChI=1S/C11H16N2O/c1-13(2)9-8-12-10-6-4-3-5-7-11(10)14/h3-7H,8-9H2,1-2H3,(H,12,14)
InChIKeyRZPLODMPJDDPCO-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one (CID 17665) is 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one is CN(C)CCNc1cccccc1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one?
The InChIKey is RZPLODMPJDDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(2)9-8-12-10-6-4-3-5-7-11(10)14/h3-7H,8-9H2,1-2H3,(H,12,14).
What are the key properties of 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one?
2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 17665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).