(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane

C10H20ClN — CID 144881481

IUPAC(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane
SMILESC=C/C(C)=N\C(=C)Cl.CC.CC
InChIInChI=1S/C6H8ClN.2C2H6/c1-4-5(2)8-6(3)7;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b8-5-;;
InChIKeyJZOVXIFBNIMHPY-XTKZWJJBSA-N
MW189.73 g/mol
LogP4.40
Rot. Bonds2

About (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane

(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane (PubChem CID 144881481) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane.

Molecular Properties

Compound Name(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane
PubChem CID144881481
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane
SMILESC=C/C(C)=N\C(=C)Cl.CC.CC
InChIInChI=1S/C6H8ClN.2C2H6/c1-4-5(2)8-6(3)7;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b8-5-;;
InChIKeyJZOVXIFBNIMHPY-XTKZWJJBSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane?
The IUPAC name of (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane (CID 144881481) is (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane.
What is the SMILES notation for (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane?
The canonical SMILES for (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane is C=C/C(C)=N\C(=C)Cl.CC.CC.
What is the InChIKey of (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane?
The InChIKey is JZOVXIFBNIMHPY-XTKZWJJBSA-N. The full InChI is InChI=1S/C6H8ClN.2C2H6/c1-4-5(2)8-6(3)7;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b8-5-;;.
What are the key properties of (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane?
(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane has a molecular weight of 189.73 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane is sourced from PubChem (CID 144881481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).