N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine

C10H14ClN — CID 126639067

IUPACN-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C(C)=C/C=C\CCl
InChIInChI=1S/C10H14ClN/c1-3-8-12-9-10(2)6-4-5-7-11/h3-6,8H,1,7,9H2,2H3/b5-4-,10-6+,12-8+
InChIKeyZBGKOYSLGZTVIY-LJDWWKGFSA-N
MW183.68 g/mol
LogP2.98
Rot. Bonds5

About N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine

N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine (PubChem CID 126639067) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine
PubChem CID126639067
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC NameN-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C(C)=C/C=C\CCl
InChIInChI=1S/C10H14ClN/c1-3-8-12-9-10(2)6-4-5-7-11/h3-6,8H,1,7,9H2,2H3/b5-4-,10-6+,12-8+
InChIKeyZBGKOYSLGZTVIY-LJDWWKGFSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine?
The IUPAC name of N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine (CID 126639067) is N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine?
The canonical SMILES for N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine is C=C/C=N/C/C(C)=C/C=C\CCl.
What is the InChIKey of N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine?
The InChIKey is ZBGKOYSLGZTVIY-LJDWWKGFSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8-12-9-10(2)6-4-5-7-11/h3-6,8H,1,7,9H2,2H3/b5-4-,10-6+,12-8+.
What are the key properties of N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine?
N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine has a molecular weight of 183.68 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-chloro-2-methylhexa-2,4-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 126639067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).