cyclohexa-1,3-dien-1-ylmethanimine

C7H9N — CID 87665054

IUPACcyclohexa-1,3-dien-1-ylmethanimine
SMILES[H]/N=C/C1=CC=CCC1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,4,6,8H,3,5H2/b8-6+
InChIKeyCALIEQRWOPLMEO-SOFGYWHQSA-N
MW107.16 g/mol
LogP1.91
Rot. Bonds1

About cyclohexa-1,3-dien-1-ylmethanimine

cyclohexa-1,3-dien-1-ylmethanimine (PubChem CID 87665054) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-ylmethanimine.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-ylmethanimine
PubChem CID87665054
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Namecyclohexa-1,3-dien-1-ylmethanimine
SMILES[H]/N=C/C1=CC=CCC1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,4,6,8H,3,5H2/b8-6+
InChIKeyCALIEQRWOPLMEO-SOFGYWHQSA-N
XLogP1.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(cyclohexa-1,3-dien-1-ylmethylidene)hydroxylamine
CID 44274589
Cyclopenta-1,4-dien-1-ylmethanimine
CID 91263645
(4-Fluorocyclohexa-1,3-dien-1-yl)methanimine
CID 123586427
(6-Fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 135171424
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
CID 166907396
(5-Methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
CID 90811439
(3-Methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
CID 91289315
4-Methylpenta-2,4-dienylideneazanium
CID 91576873
(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine
CID 145286666
(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine
CID 145324654
(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine
CID 162723464
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-ylmethanimine?
The IUPAC name of cyclohexa-1,3-dien-1-ylmethanimine (CID 87665054) is cyclohexa-1,3-dien-1-ylmethanimine.
What is the SMILES notation for cyclohexa-1,3-dien-1-ylmethanimine?
The canonical SMILES for cyclohexa-1,3-dien-1-ylmethanimine is [H]/N=C/C1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-ylmethanimine?
The InChIKey is CALIEQRWOPLMEO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,4,6,8H,3,5H2/b8-6+.
What are the key properties of cyclohexa-1,3-dien-1-ylmethanimine?
cyclohexa-1,3-dien-1-ylmethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-ylmethanimine is sourced from PubChem (CID 87665054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).