2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane

C10H20ClN — CID 170612541

IUPAC2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane
SMILESC=C(Cl)/C=N/C(=C)C.CC.CC
InChIInChI=1S/C6H8ClN.2C2H6/c1-5(2)8-4-6(3)7;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b8-4+;;
InChIKeyLXVPLKBWWBNOLK-ZDTICIBISA-N
MW189.73 g/mol
LogP4.40
Rot. Bonds2

About 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane

2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane (PubChem CID 170612541) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane.

Molecular Properties

Compound Name2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane
PubChem CID170612541
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane
SMILESC=C(Cl)/C=N/C(=C)C.CC.CC
InChIInChI=1S/C6H8ClN.2C2H6/c1-5(2)8-4-6(3)7;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b8-4+;;
InChIKeyLXVPLKBWWBNOLK-ZDTICIBISA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane?
The IUPAC name of 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane (CID 170612541) is 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane.
What is the SMILES notation for 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane?
The canonical SMILES for 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane is C=C(Cl)/C=N/C(=C)C.CC.CC.
What is the InChIKey of 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane?
The InChIKey is LXVPLKBWWBNOLK-ZDTICIBISA-N. The full InChI is InChI=1S/C6H8ClN.2C2H6/c1-5(2)8-4-6(3)7;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b8-4+;;.
What are the key properties of 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane?
2-chloro-N-prop-1-en-2-ylprop-2-en-1-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 2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine;ethane is sourced from PubChem (CID 170612541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).