N-phenylprop-2-enimidoyl chloride

C9H8ClN — CID 15040268

IUPACN-phenylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/c1ccccc1
InChIInChI=1S/C9H8ClN/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2/b11-9-
InChIKeyYFAJZYGEOGNKDT-LUAWRHEFSA-N
MW165.62 g/mol
LogP3.14
Rot. Bonds2

About N-phenylprop-2-enimidoyl chloride

N-phenylprop-2-enimidoyl chloride (PubChem CID 15040268) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is N-phenylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-phenylprop-2-enimidoyl chloride
PubChem CID15040268
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC NameN-phenylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/c1ccccc1
InChIInChI=1S/C9H8ClN/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2/b11-9-
InChIKeyYFAJZYGEOGNKDT-LUAWRHEFSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride
CID 3302476
1,1-dichloro-N-(4-phenylphenyl)methanimine
CID 138974512
N,1-diphenylbut-3-en-1-imine
CID 12676193
N-(4-phenylphenyl)but-3-en-2-imine
CID 123871939
2-chlorobuta-1,3-diene;styrene
CID 146314687
3-phenyliminobutan-2-one
CID 12823040
bis(2-phenylguanidine);dihydrochloride
CID 160984545
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
fluorobenzene;prop-2-enoyl chloride
CID 159760934
2-phenyliminopropane-1,3-diol
CID 159189915
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
benzaldehyde;prop-2-enoyl chloride
CID 21322755

Frequently Asked Questions

What is the IUPAC name of N-phenylprop-2-enimidoyl chloride?
The IUPAC name of N-phenylprop-2-enimidoyl chloride (CID 15040268) is N-phenylprop-2-enimidoyl chloride.
What is the SMILES notation for N-phenylprop-2-enimidoyl chloride?
The canonical SMILES for N-phenylprop-2-enimidoyl chloride is C=C/C(Cl)=N/c1ccccc1.
What is the InChIKey of N-phenylprop-2-enimidoyl chloride?
The InChIKey is YFAJZYGEOGNKDT-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H8ClN/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2/b11-9-.
What are the key properties of N-phenylprop-2-enimidoyl chloride?
N-phenylprop-2-enimidoyl chloride has a molecular weight of 165.62 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylprop-2-enimidoyl chloride is sourced from PubChem (CID 15040268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).