2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine

C14H20ClN — CID 123366899

IUPAC2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine
SMILESC=C(Cl)C=C/C(=N\C(=C)C)C(=C)CCCC
InChIInChI=1S/C14H20ClN/c1-6-7-8-12(4)14(16-11(2)3)10-9-13(5)15/h9-10H,2,4-8H2,1,3H3/b10-9?,16-14+
InChIKeyOZXJIOYJILVDRZ-AMKHYLSESA-N
MW237.77 g/mol
LogP5.02
Rot. Bonds7

About 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine

2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine (PubChem CID 123366899) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine.

Molecular Properties

Compound Name2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine
PubChem CID123366899
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine
SMILESC=C(Cl)C=C/C(=N\C(=C)C)C(=C)CCCC
InChIInChI=1S/C14H20ClN/c1-6-7-8-12(4)14(16-11(2)3)10-9-13(5)15/h9-10H,2,4-8H2,1,3H3/b10-9?,16-14+
InChIKeyOZXJIOYJILVDRZ-AMKHYLSESA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.77
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine?
The IUPAC name of 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine (CID 123366899) is 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine.
What is the SMILES notation for 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine?
The canonical SMILES for 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine is C=C(Cl)C=C/C(=N\C(=C)C)C(=C)CCCC.
What is the InChIKey of 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine?
The InChIKey is OZXJIOYJILVDRZ-AMKHYLSESA-N. The full InChI is InChI=1S/C14H20ClN/c1-6-7-8-12(4)14(16-11(2)3)10-9-13(5)15/h9-10H,2,4-8H2,1,3H3/b10-9?,16-14+.
What are the key properties of 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine?
2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine has a molecular weight of 237.77 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine is sourced from PubChem (CID 123366899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).