N-phenylprop-1-en-1-imine

C9H9N — CID 637802

IUPACN-phenylprop-1-en-1-imine
SMILESCC=C=Nc1ccccc1
InChIInChI=1S/C9H9N/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1H3
InChIKeyGGSGBRPFHSURGV-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.56
Rot. Bonds1

About N-phenylprop-1-en-1-imine

N-phenylprop-1-en-1-imine (PubChem CID 637802) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is N-phenylprop-1-en-1-imine.

Molecular Properties

Compound NameN-phenylprop-1-en-1-imine
PubChem CID637802
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC NameN-phenylprop-1-en-1-imine
SMILESCC=C=Nc1ccccc1
InChIInChI=1S/C9H9N/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1H3
InChIKeyGGSGBRPFHSURGV-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.56
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-phenylprop-1-en-1-imine?
The IUPAC name of N-phenylprop-1-en-1-imine (CID 637802) is N-phenylprop-1-en-1-imine.
What is the SMILES notation for N-phenylprop-1-en-1-imine?
The canonical SMILES for N-phenylprop-1-en-1-imine is CC=C=Nc1ccccc1.
What is the InChIKey of N-phenylprop-1-en-1-imine?
The InChIKey is GGSGBRPFHSURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1H3.
What are the key properties of N-phenylprop-1-en-1-imine?
N-phenylprop-1-en-1-imine has a molecular weight of 131.18 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylprop-1-en-1-imine is sourced from PubChem (CID 637802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).