N-prop-1-enylprop-2-enimidoyl chloride

C6H8ClN — CID 123895156

IUPACN-prop-1-enylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C=CC
InChIInChI=1S/C6H8ClN/c1-3-5-8-6(7)4-2/h3-5H,2H2,1H3/b5-3?,8-6-
InChIKeyJIWFIADORGVFJV-NVSPGPGMSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

About N-prop-1-enylprop-2-enimidoyl chloride

N-prop-1-enylprop-2-enimidoyl chloride (PubChem CID 123895156) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-prop-1-enylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-prop-1-enylprop-2-enimidoyl chloride
PubChem CID123895156
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-prop-1-enylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C=CC
InChIInChI=1S/C6H8ClN/c1-3-5-8-6(7)4-2/h3-5H,2H2,1H3/b5-3?,8-6-
InChIKeyJIWFIADORGVFJV-NVSPGPGMSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.34
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

N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
CID 143915091
N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride
CID 174320512
N-[(1E)-2-chlorobuta-1,3-dienyl]propan-2-imine
CID 88999115
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine
CID 89125138
2-chloro-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 89595732
(E)-3-chloro-N-ethenylbut-2-enimidoyl chloride
CID 89969445
N-[(1E)-1-chlorobuta-1,3-dienyl]ethanimine
CID 91109033
N-prop-1-enylprop-2-en-1-imine
CID 91129851
2-Chloro-1-azacyclohepta-1,3,4,6-tetraene
CID 91547907
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 119097405

Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylprop-2-enimidoyl chloride?
The IUPAC name of N-prop-1-enylprop-2-enimidoyl chloride (CID 123895156) is N-prop-1-enylprop-2-enimidoyl chloride.
What is the SMILES notation for N-prop-1-enylprop-2-enimidoyl chloride?
The canonical SMILES for N-prop-1-enylprop-2-enimidoyl chloride is C=C/C(Cl)=N/C=CC.
What is the InChIKey of N-prop-1-enylprop-2-enimidoyl chloride?
The InChIKey is JIWFIADORGVFJV-NVSPGPGMSA-N. The full InChI is InChI=1S/C6H8ClN/c1-3-5-8-6(7)4-2/h3-5H,2H2,1H3/b5-3?,8-6-.
What are the key properties of N-prop-1-enylprop-2-enimidoyl chloride?
N-prop-1-enylprop-2-enimidoyl chloride has a molecular weight of 129.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylprop-2-enimidoyl chloride is sourced from PubChem (CID 123895156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).