N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine

C8H9N — CID 12561442

IUPACN-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
SMILESC=C1C=CC(=NC)C=C1
InChIInChI=1S/C8H9N/c1-7-3-5-8(9-2)6-4-7/h3-6H,1H2,2H3
InChIKeyDXYRDPWWKXKXEA-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.74
Rot. Bonds

About N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine

N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine (PubChem CID 12561442) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
PubChem CID12561442
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC NameN-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
SMILESC=C1C=CC(=NC)C=C1
InChIInChI=1S/C8H9N/c1-7-3-5-8(9-2)6-4-7/h3-6H,1H2,2H3
InChIKeyDXYRDPWWKXKXEA-UHFFFAOYSA-N
XLogP1.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.74
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 N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine (CID 12561442) is N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine is C=C1C=CC(=NC)C=C1.
What is the InChIKey of N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is DXYRDPWWKXKXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-7-3-5-8(9-2)6-4-7/h3-6H,1H2,2H3.
What are the key properties of N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine?
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 119.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 12561442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).