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

C7H7N — CID 20575909

IUPAC4-methylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C)C=C1
InChIInChI=1S/C7H7N/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H2
InChIKeyUTRDMNMBFXKKFY-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.69
Rot. Bonds

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

4-methylidenecyclohexa-2,5-dien-1-imine (PubChem CID 20575909) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 4-methylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-methylidenecyclohexa-2,5-dien-1-imine
PubChem CID20575909
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name4-methylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C)C=C1
InChIInChI=1S/C7H7N/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H2
InChIKeyUTRDMNMBFXKKFY-UHFFFAOYSA-N
XLogP1.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 4-methylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-methylidenecyclohexa-2,5-dien-1-imine (CID 20575909) is 4-methylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-methylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-methylidenecyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(=C)C=C1.
What is the InChIKey of 4-methylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is UTRDMNMBFXKKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H2.
What are the key properties of 4-methylidenecyclohexa-2,5-dien-1-imine?
4-methylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 105.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 20575909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).