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

C6H8ClN — CID 143394259

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

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

N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine (PubChem CID 143394259) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine
PubChem CID143394259
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(7)4-6(2)8-3/h4H,1,3H2,2H3/b6-4-
InChIKeyUAUOLQULQMANFR-XQRVVYSFSA-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-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
(2Z,4E)-5-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 88276302
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
N-penta-2,4-dien-2-ylmethanimine
CID 91009510
N-[(3E)-penta-1,3-dien-2-yl]methanimine
CID 101767236
N-hexa-2,4-dien-2-ylmethanimine
CID 123156262
N-(5-chlorohexa-2,4-dien-2-yl)methanimine
CID 123399701
N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine
CID 123420674

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine (CID 143394259) is N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C)Cl.
What is the InChIKey of N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine?
The InChIKey is UAUOLQULQMANFR-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5(7)4-6(2)8-3/h4H,1,3H2,2H3/b6-4-.
What are the key properties of N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-4-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-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 143394259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).