4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine

C14H14N2 — CID 67932532

IUPAC4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(C=CC2=CC/C(=N\[H])C=C2)=CC1
InChIInChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-7,9,15-16H,8,10H2/b2-1?,15-13-,16-14+
InChIKeyZJGFDMRVEHKCEN-OUNLNTPUSA-N
MW210.28 g/mol
LogP3.35
Rot. Bonds2

About 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine

4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine (PubChem CID 67932532) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
PubChem CID67932532
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(C=CC2=CC/C(=N\[H])C=C2)=CC1
InChIInChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-7,9,15-16H,8,10H2/b2-1?,15-13-,16-14+
InChIKeyZJGFDMRVEHKCEN-OUNLNTPUSA-N
XLogP3.35
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine (CID 67932532) is 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(C=CC2=CC/C(=N\[H])C=C2)=CC1.
What is the InChIKey of 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is ZJGFDMRVEHKCEN-OUNLNTPUSA-N. The full InChI is InChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-7,9,15-16H,8,10H2/b2-1?,15-13-,16-14+.
What are the key properties of 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 210.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 67932532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).