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

C10H14N2O2 — CID 57299168

IUPAC4,5-bis(ethylimino)cyclohexane-1,2-dione
SMILESCC/N=C1\CC(=O)C(=O)C\C1=N/CC
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-9(13)10(14)6-8(7)12-4-2/h3-6H2,1-2H3/b11-7+,12-8+
InChIKeyBRXWALYJOBDKNC-MKICQXMISA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds2

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

4,5-bis(ethylimino)cyclohexane-1,2-dione (PubChem CID 57299168) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,5-bis(ethylimino)cyclohexane-1,2-dione.

Molecular Properties

Compound Name4,5-bis(ethylimino)cyclohexane-1,2-dione
PubChem CID57299168
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4,5-bis(ethylimino)cyclohexane-1,2-dione
SMILESCC/N=C1\CC(=O)C(=O)C\C1=N/CC
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-9(13)10(14)6-8(7)12-4-2/h3-6H2,1-2H3/b11-7+,12-8+
InChIKeyBRXWALYJOBDKNC-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': 'diketo_group', '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
2,5-Bis(ethylimino)cyclohexane-1,4-dione
CID 57084198
2-[3-(3-Oxohexan-2-ylideneamino)propylimino]hexan-3-one
CID 57187305
3-Methyliminoheptane-2,5-dione
CID 59059009
(3Z)-3-(dimethylhydrazinylidene)cyclohexane-1,2-dione
CID 89942666
3-(Dimethylhydrazinylidene)cyclohexane-1,2-dione
CID 89942668
3-(3-Oxopentan-2-ylimino)cyclohexan-1-one
CID 90059425

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethylimino)cyclohexane-1,2-dione?
The IUPAC name of 4,5-bis(ethylimino)cyclohexane-1,2-dione (CID 57299168) is 4,5-bis(ethylimino)cyclohexane-1,2-dione.
What is the SMILES notation for 4,5-bis(ethylimino)cyclohexane-1,2-dione?
The canonical SMILES for 4,5-bis(ethylimino)cyclohexane-1,2-dione is CC/N=C1\CC(=O)C(=O)C\C1=N/CC.
What is the InChIKey of 4,5-bis(ethylimino)cyclohexane-1,2-dione?
The InChIKey is BRXWALYJOBDKNC-MKICQXMISA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-11-7-5-9(13)10(14)6-8(7)12-4-2/h3-6H2,1-2H3/b11-7+,12-8+.
What are the key properties of 4,5-bis(ethylimino)cyclohexane-1,2-dione?
4,5-bis(ethylimino)cyclohexane-1,2-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 4,5-bis(ethylimino)cyclohexane-1,2-dione is sourced from PubChem (CID 57299168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).