N-(1-phenylethenyl)ethanimine

C10H11N — CID 13099168

IUPACN-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C/C)c1ccccc1
InChIInChI=1S/C10H11N/c1-3-11-9(2)10-7-5-4-6-8-10/h3-8H,2H2,1H3/b11-3+
InChIKeyPPRWMUORVRHHQA-QDEBKDIKSA-N
MW145.20 g/mol
LogP2.75
Rot. Bonds2

About N-(1-phenylethenyl)ethanimine

N-(1-phenylethenyl)ethanimine (PubChem CID 13099168) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-phenylethenyl)ethanimine.

Molecular Properties

Compound NameN-(1-phenylethenyl)ethanimine
PubChem CID13099168
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C/C)c1ccccc1
InChIInChI=1S/C10H11N/c1-3-11-9(2)10-7-5-4-6-8-10/h3-8H,2H2,1H3/b11-3+
InChIKeyPPRWMUORVRHHQA-QDEBKDIKSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.75
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-(1-phenylethenyl)ethanimine?
The IUPAC name of N-(1-phenylethenyl)ethanimine (CID 13099168) is N-(1-phenylethenyl)ethanimine.
What is the SMILES notation for N-(1-phenylethenyl)ethanimine?
The canonical SMILES for N-(1-phenylethenyl)ethanimine is C=C(/N=C/C)c1ccccc1.
What is the InChIKey of N-(1-phenylethenyl)ethanimine?
The InChIKey is PPRWMUORVRHHQA-QDEBKDIKSA-N. The full InChI is InChI=1S/C10H11N/c1-3-11-9(2)10-7-5-4-6-8-10/h3-8H,2H2,1H3/b11-3+.
What are the key properties of N-(1-phenylethenyl)ethanimine?
N-(1-phenylethenyl)ethanimine has a molecular weight of 145.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethenyl)ethanimine is sourced from PubChem (CID 13099168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).