N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

C11H14N2O2 — CID 28943

IUPACN-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCCNc1ccc(NC(C)=O)ccc1=O
InChIInChI=1S/C11H14N2O2/c1-3-12-10-6-4-9(13-8(2)14)5-7-11(10)15/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCGNFYFSTYGBHJM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.44
Rot. Bonds3

About N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (PubChem CID 28943) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
PubChem CID28943
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCCNc1ccc(NC(C)=O)ccc1=O
InChIInChI=1S/C11H14N2O2/c1-3-12-10-6-4-9(13-8(2)14)5-7-11(10)15/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCGNFYFSTYGBHJM-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(4-((2-(dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 27342
Acetamide, N-(4-(diethylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 205560
N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide
CID 15592139
2,4,6-Cycloheptatrien-1-one, 2-((2-(dimethylamino)ethyl)amino)-
CID 17665
Acetamide, N-(4-((3-(dimethylamino)propyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 27349
Acetamide, N-(4-(methylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 28942
Acetamide, N,N'-(7-oxo-1,3,5-cycloheptatrien-1,4-ylene)bis(2-(diethylamino)-
CID 28944
Acetamide, 2-(dimethylamino)-N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride
CID 203933
Acetamide, 2-(diethylamino)-N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride
CID 203935
Acetamide, N-(4-((2-(diethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 203937
Acetamide, 2-(dibutylamino)-N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride
CID 203941
Acetamide, N-(4-(cyclohexylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 205561

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The IUPAC name of N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (CID 28943) is N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.
What is the SMILES notation for N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The canonical SMILES for N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is CCNc1ccc(NC(C)=O)ccc1=O.
What is the InChIKey of N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The InChIKey is CGNFYFSTYGBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-12-10-6-4-9(13-8(2)14)5-7-11(10)15/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide has a molecular weight of 206.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is sourced from PubChem (CID 28943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).