N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine

C6H8ClN — CID 143573593

IUPACN-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C=C(/CCl)N=C
InChIInChI=1S/C6H8ClN/c1-3-4-6(5-7)8-2/h3-4H,1-2,5H2/b6-4-
InChIKeyOVXWECMHCKZCNQ-XQRVVYSFSA-N
MW129.59 g/mol
LogP2.00
Rot. Bonds3

About N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine

N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine (PubChem CID 143573593) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine
PubChem CID143573593
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C=C(/CCl)N=C
InChIInChI=1S/C6H8ClN/c1-3-4-6(5-7)8-2/h3-4H,1-2,5H2/b6-4-
InChIKeyOVXWECMHCKZCNQ-XQRVVYSFSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.00
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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Related Compounds

N-(5-chlorohexa-2,4-dien-2-yl)methanimine
CID 123399701
N-(1-chlorobut-2-en-2-yl)methanimine
CID 123620422
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
CID 131967116
N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine
CID 143340489
N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine
CID 143394259
N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine
CID 143671889
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride
CID 144860153
N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride
CID 145049200
2-chloro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimine
CID 145511389
N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
CID 146505996
N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine
CID 163736721
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine
CID 144824539

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine (CID 143573593) is N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine is C=C/C=C(/CCl)N=C.
What is the InChIKey of N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine?
The InChIKey is OVXWECMHCKZCNQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8ClN/c1-3-4-6(5-7)8-2/h3-4H,1-2,5H2/b6-4-.
What are the key properties of N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine has a molecular weight of 129.59 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 143573593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).