N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide

C12H16N2O2 — CID 121011595

IUPACN,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide
SMILESCCN(CC)C(=O)/C=N/C1=CC=CCC1=O
InChIInChI=1S/C12H16N2O2/c1-3-14(4-2)12(16)9-13-10-7-5-6-8-11(10)15/h5-7,9H,3-4,8H2,1-2H3/b13-9+
InChIKeyCLDXAWKUWIDDBZ-UKTHLTGXSA-N
MW220.27 g/mol
LogP1.34
Rot. Bonds4

About N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide

N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide (PubChem CID 121011595) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide
PubChem CID121011595
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide
SMILESCCN(CC)C(=O)/C=N/C1=CC=CCC1=O
InChIInChI=1S/C12H16N2O2/c1-3-14(4-2)12(16)9-13-10-7-5-6-8-11(10)15/h5-7,9H,3-4,8H2,1-2H3/b13-9+
InChIKeyCLDXAWKUWIDDBZ-UKTHLTGXSA-N
XLogP1.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-8H-quinoxaline-2,7-dione
CID 141675969
6-Acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane
CID 153345183

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide?
The IUPAC name of N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide (CID 121011595) is N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide.
What is the SMILES notation for N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide?
The canonical SMILES for N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide is CCN(CC)C(=O)/C=N/C1=CC=CCC1=O.
What is the InChIKey of N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide?
The InChIKey is CLDXAWKUWIDDBZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14(4-2)12(16)9-13-10-7-5-6-8-11(10)15/h5-7,9H,3-4,8H2,1-2H3/b13-9+.
What are the key properties of N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide?
N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide has a molecular weight of 220.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide is sourced from PubChem (CID 121011595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).