N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine

C6H8ClN — CID 144824539

IUPACN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(Cl)=C(/C)N=C
InChIInChI=1S/C6H8ClN/c1-4-6(7)5(2)8-3/h4H,1,3H2,2H3/b6-5+
InChIKeyCUXINOZLRILPQZ-AATRIKPKSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

About N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine

N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine (PubChem CID 144824539) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine
PubChem CID144824539
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(Cl)=C(/C)N=C
InChIInChI=1S/C6H8ClN/c1-4-6(7)5(2)8-3/h4H,1,3H2,2H3/b6-5+
InChIKeyCUXINOZLRILPQZ-AATRIKPKSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.34
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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Related Compounds

N-(2-chloropenta-1,3-dienyl)methanimine
CID 91239455
N-(5-chlorohexa-2,4-dien-2-yl)methanimine
CID 123399701
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride
CID 130183540
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
CID 131967116
N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine
CID 143394259
N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine
CID 143573593
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane
CID 144824538
N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine;ethene;propane
CID 144875619
N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride
CID 145049200
N-[(1E,3Z)-2-chloropenta-1,3-dienyl]methanimine
CID 145551262
N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
CID 146505996
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
CID 154656713

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine (CID 144824539) is N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine is C=C/C(Cl)=C(/C)N=C.
What is the InChIKey of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine?
The InChIKey is CUXINOZLRILPQZ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H8ClN/c1-4-6(7)5(2)8-3/h4H,1,3H2,2H3/b6-5+.
What are the key properties of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine?
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine has a molecular weight of 129.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 144824539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).