N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine

C7H10ClN — CID 118048882

IUPACN-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C\Cl)CC
InChIInChI=1S/C7H10ClN/c1-3-7(4-5-8)6-9-2/h4-6H,2-3H2,1H3/b5-4+,7-6-
InChIKeyGGWJAJRUJVWVLY-DEQVHDEQSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds3

About N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine (PubChem CID 118048882) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine
PubChem CID118048882
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C\Cl)CC
InChIInChI=1S/C7H10ClN/c1-3-7(4-5-8)6-9-2/h4-6H,2-3H2,1H3/b5-4+,7-6-
InChIKeyGGWJAJRUJVWVLY-DEQVHDEQSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
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 N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine (CID 118048882) is N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine is C=N/C=C(\C=C\Cl)CC.
What is the InChIKey of N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine?
The InChIKey is GGWJAJRUJVWVLY-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H10ClN/c1-3-7(4-5-8)6-9-2/h4-6H,2-3H2,1H3/b5-4+,7-6-.
What are the key properties of N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 118048882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).