2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione

C10H12Cl2N2O2 — CID 21275007

IUPAC2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
SMILESCCNC1=C(Cl)C(=O)C(NCC)=C(Cl)C1=O
InChIInChI=1S/C10H12Cl2N2O2/c1-3-13-7-5(11)10(16)8(14-4-2)6(12)9(7)15/h13-14H,3-4H2,1-2H3
InChIKeyTVXPWFFFDLVOID-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.26
Rot. Bonds4

About 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione

2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione (PubChem CID 21275007) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
PubChem CID21275007
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
SMILESCCNC1=C(Cl)C(=O)C(NCC)=C(Cl)C1=O
InChIInChI=1S/C10H12Cl2N2O2/c1-3-13-7-5(11)10(16)8(14-4-2)6(12)9(7)15/h13-14H,3-4H2,1-2H3
InChIKeyTVXPWFFFDLVOID-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione (CID 21275007) is 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione is CCNC1=C(Cl)C(=O)C(NCC)=C(Cl)C1=O.
What is the InChIKey of 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is TVXPWFFFDLVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-3-13-7-5(11)10(16)8(14-4-2)6(12)9(7)15/h13-14H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 263.12 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 21275007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).