2-methyl-N-phenylprop-1-en-1-imine

C10H11N — CID 637803

IUPAC2-methyl-N-phenylprop-1-en-1-imine
SMILESCC(C)=C=Nc1ccccc1
InChIInChI=1S/C10H11N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyZPHSVVDFNWHRQF-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.95
Rot. Bonds1

About 2-methyl-N-phenylprop-1-en-1-imine

2-methyl-N-phenylprop-1-en-1-imine (PubChem CID 637803) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-N-phenylprop-1-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-phenylprop-1-en-1-imine
PubChem CID637803
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-methyl-N-phenylprop-1-en-1-imine
SMILESCC(C)=C=Nc1ccccc1
InChIInChI=1S/C10H11N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyZPHSVVDFNWHRQF-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.95
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 2-methyl-N-phenylprop-1-en-1-imine?
The IUPAC name of 2-methyl-N-phenylprop-1-en-1-imine (CID 637803) is 2-methyl-N-phenylprop-1-en-1-imine.
What is the SMILES notation for 2-methyl-N-phenylprop-1-en-1-imine?
The canonical SMILES for 2-methyl-N-phenylprop-1-en-1-imine is CC(C)=C=Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylprop-1-en-1-imine?
The InChIKey is ZPHSVVDFNWHRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 2-methyl-N-phenylprop-1-en-1-imine?
2-methyl-N-phenylprop-1-en-1-imine has a molecular weight of 145.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylprop-1-en-1-imine is sourced from PubChem (CID 637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).