ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride

C8H14ClN — CID 143507685

IUPACethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C(=C)C.CC
InChIInChI=1S/C6H8ClN.C2H6/c1-4-6(7)8-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b8-6-;
InChIKeyATESXBJZOSAGHN-PHZXCRFESA-N
MW159.66 g/mol
LogP3.37
Rot. Bonds2

About ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride

ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride (PubChem CID 143507685) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride
PubChem CID143507685
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Nameethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C(=C)C.CC
InChIInChI=1S/C6H8ClN.C2H6/c1-4-6(7)8-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b8-6-;
InChIKeyATESXBJZOSAGHN-PHZXCRFESA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 53.37
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-prop-1-en-2-ylethanimidoyl chloride
CID 89263766
N-[(1E)-1-chlorobuta-1,3-dienyl]propan-2-imine
CID 126748852
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl chloride
CID 137546544
3-methyl-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 138554186
N-[(Z)-but-2-en-2-yl]prop-2-enimidoyl chloride
CID 141923293
N-prop-1-en-2-ylprop-2-enimidoyl chloride
CID 143168261
(Z)-N-but-1-en-2-ylbut-2-enimidoyl chloride
CID 144863362
ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride
CID 144912390
N-buta-1,3-dien-2-ylethanimidoyl chloride
CID 145174636
(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride;propane
CID 145614336
(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 165410693
N-[(E)-but-2-en-2-yl]ethanimidoyl chloride
CID 166806829

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride?
The IUPAC name of ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride (CID 143507685) is ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride.
What is the SMILES notation for ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride?
The canonical SMILES for ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride is C=C/C(Cl)=N/C(=C)C.CC.
What is the InChIKey of ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride?
The InChIKey is ATESXBJZOSAGHN-PHZXCRFESA-N. The full InChI is InChI=1S/C6H8ClN.C2H6/c1-4-6(7)8-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b8-6-;.
What are the key properties of ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride?
ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride has a molecular weight of 159.66 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride is sourced from PubChem (CID 143507685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).