ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine

C11H16N2 — CID 142933098

IUPACethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
SMILESC=C/N=C1\C=CC=C\C1=N/C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-11-9-7-5-4-6-8(9)10-2;1-2/h3-7H,1H2,2H3;1-2H3/b10-8+,11-9+;
InChIKeyFIAHORUVXKRSRU-HUISGVMCSA-N
MW176.26 g/mol
LogP2.79
Rot. Bonds1

About ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine

ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 142933098) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Nameethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
PubChem CID142933098
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
SMILESC=C/N=C1\C=CC=C\C1=N/C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-11-9-7-5-4-6-8(9)10-2;1-2/h3-7H,1H2,2H3;1-2H3/b10-8+,11-9+;
InChIKeyFIAHORUVXKRSRU-HUISGVMCSA-N
XLogP2.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine (CID 142933098) is ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine is C=C/N=C1\C=CC=C\C1=N/C.CC.
What is the InChIKey of ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is FIAHORUVXKRSRU-HUISGVMCSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-3-11-9-7-5-4-6-8(9)10-2;1-2/h3-7H,1H2,2H3;1-2H3/b10-8+,11-9+;.
What are the key properties of ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 176.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 142933098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).