2,5-bis(ethylimino)cyclohexane-1,4-dione

C10H14N2O2 — CID 57084198

IUPAC2,5-bis(ethylimino)cyclohexane-1,4-dione
SMILESCC/N=C1\CC(=O)/C(=N/CC)CC1=O
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-10(14)8(12-4-2)6-9(7)13/h3-6H2,1-2H3/b11-7+,12-8+
InChIKeyGYGDUBMBWNODRV-MKICQXMISA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds2

About 2,5-bis(ethylimino)cyclohexane-1,4-dione

2,5-bis(ethylimino)cyclohexane-1,4-dione (PubChem CID 57084198) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,5-bis(ethylimino)cyclohexane-1,4-dione.

Molecular Properties

Compound Name2,5-bis(ethylimino)cyclohexane-1,4-dione
PubChem CID57084198
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,5-bis(ethylimino)cyclohexane-1,4-dione
SMILESCC/N=C1\CC(=O)/C(=N/CC)CC1=O
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-10(14)8(12-4-2)6-9(7)13/h3-6H2,1-2H3/b11-7+,12-8+
InChIKeyGYGDUBMBWNODRV-MKICQXMISA-N
XLogP0.84
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyliminocyclohexan-1-one
CID 7157389
2-Methyliminocyclohexan-1-one
CID 18322635
5-Ethyliminohexan-2-one
CID 20666906
4-Methyliminocyclohexan-1-one
CID 21134185
2,5-Bis(methylimino)cyclohexane-1,4-dione
CID 54568642
4-Hexyliminocyclohexan-1-one
CID 57020745
4,5-Bis(ethylimino)cyclohexane-1,2-dione
CID 57299168
3-Methyliminohexane-2,5-dione
CID 59059008
3-Methyliminoheptane-2,5-dione
CID 59059009
3-(3-Oxopentan-2-ylimino)cyclohexan-1-one
CID 90059425
3-Propan-2-yliminocyclohexan-1-one
CID 91012794
4-Ethyliminocyclohexan-1-one
CID 123314800

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethylimino)cyclohexane-1,4-dione?
The IUPAC name of 2,5-bis(ethylimino)cyclohexane-1,4-dione (CID 57084198) is 2,5-bis(ethylimino)cyclohexane-1,4-dione.
What is the SMILES notation for 2,5-bis(ethylimino)cyclohexane-1,4-dione?
The canonical SMILES for 2,5-bis(ethylimino)cyclohexane-1,4-dione is CC/N=C1\CC(=O)/C(=N/CC)CC1=O.
What is the InChIKey of 2,5-bis(ethylimino)cyclohexane-1,4-dione?
The InChIKey is GYGDUBMBWNODRV-MKICQXMISA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-11-7-5-10(14)8(12-4-2)6-9(7)13/h3-6H2,1-2H3/b11-7+,12-8+.
What are the key properties of 2,5-bis(ethylimino)cyclohexane-1,4-dione?
2,5-bis(ethylimino)cyclohexane-1,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethylimino)cyclohexane-1,4-dione is sourced from PubChem (CID 57084198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).