4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione

C10H14N2O2 — CID 18981330

IUPAC4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione
SMILESCCNC1=CC(=O)C(=O)C=C1NCC
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-9(13)10(14)6-8(7)12-4-2/h5-6,11-12H,3-4H2,1-2H3
InChIKeyUCVPJCKOBLGUJL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.12
Rot. Bonds4

About 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione

4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione (PubChem CID 18981330) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione
PubChem CID18981330
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione
SMILESCCNC1=CC(=O)C(=O)C=C1NCC
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-9(13)10(14)6-8(7)12-4-2/h5-6,11-12H,3-4H2,1-2H3
InChIKeyUCVPJCKOBLGUJL-UHFFFAOYSA-N
XLogP0.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione (CID 18981330) is 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione is CCNC1=CC(=O)C(=O)C=C1NCC.
What is the InChIKey of 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione?
The InChIKey is UCVPJCKOBLGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-11-7-5-9(13)10(14)6-8(7)12-4-2/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione?
4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione has a molecular weight of 194.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethylamino)cyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 18981330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).