1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine

C8H11N — CID 59809511

IUPAC1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
SMILESC/N=C/C1=CC=CCC1
InChIInChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-3,5,7H,4,6H2,1H3/b9-7+
InChIKeyQUJKZTBOLTWQRE-VQHVLOKHSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine

1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine (PubChem CID 59809511) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
PubChem CID59809511
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
SMILESC/N=C/C1=CC=CCC1
InChIInChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-3,5,7H,4,6H2,1H3/b9-7+
InChIKeyQUJKZTBOLTWQRE-VQHVLOKHSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine (CID 59809511) is 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine is C/N=C/C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine?
The InChIKey is QUJKZTBOLTWQRE-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-3,5,7H,4,6H2,1H3/b9-7+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine?
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine is sourced from PubChem (CID 59809511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).