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

C10H14N2O4 — CID 90731117

IUPAC2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione
SMILESO=C1C/C(=N\CCO)C(=O)C/C1=N\CCO
InChIInChI=1S/C10H14N2O4/c13-3-1-11-7-5-10(16)8(6-9(7)15)12-2-4-14/h13-14H,1-6H2/b11-7+,12-8+
InChIKeyHPEOQSCNSGUSIS-MKICQXMISA-N
MW226.23 g/mol
LogP-1.22
Rot. Bonds4

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

2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione (PubChem CID 90731117) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione.

Molecular Properties

Compound Name2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione
PubChem CID90731117
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione
SMILESO=C1C/C(=N\CCO)C(=O)C/C1=N\CCO
InChIInChI=1S/C10H14N2O4/c13-3-1-11-7-5-10(16)8(6-9(7)15)12-2-4-14/h13-14H,1-6H2/b11-7+,12-8+
InChIKeyHPEOQSCNSGUSIS-MKICQXMISA-N
XLogP-1.22
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[(2-Hydroxyethyl)imino]cyclohexan-1-one
CID 13375163
3-(2-Hydroxypropylimino)cyclohexan-1-one
CID 123212642

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione?
The IUPAC name of 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione (CID 90731117) is 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione.
What is the SMILES notation for 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione?
The canonical SMILES for 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione is O=C1C/C(=N\CCO)C(=O)C/C1=N\CCO.
What is the InChIKey of 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione?
The InChIKey is HPEOQSCNSGUSIS-MKICQXMISA-N. The full InChI is InChI=1S/C10H14N2O4/c13-3-1-11-7-5-10(16)8(6-9(7)15)12-2-4-14/h13-14H,1-6H2/b11-7+,12-8+.
What are the key properties of 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione?
2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione has a molecular weight of 226.23 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-hydroxyethylimino)cyclohexane-1,4-dione is sourced from PubChem (CID 90731117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).