N-(5-chlorohexa-2,4-dien-2-yl)methanimine

C7H10ClN — CID 123399701

IUPACN-(5-chlorohexa-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=CC=C(C)Cl
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3
InChIKeyRLCHXSQVRHKGAA-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-(5-chlorohexa-2,4-dien-2-yl)methanimine

N-(5-chlorohexa-2,4-dien-2-yl)methanimine (PubChem CID 123399701) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-(5-chlorohexa-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(5-chlorohexa-2,4-dien-2-yl)methanimine
PubChem CID123399701
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-(5-chlorohexa-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=CC=C(C)Cl
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3
InChIKeyRLCHXSQVRHKGAA-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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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-(methylideneamino)hexa-2,4-dien-2-yl]methanimine
CID 123420674
N-(1-chlorobut-2-en-2-yl)methanimine
CID 123620422

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorohexa-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(5-chlorohexa-2,4-dien-2-yl)methanimine (CID 123399701) is N-(5-chlorohexa-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(5-chlorohexa-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(5-chlorohexa-2,4-dien-2-yl)methanimine is C=NC(C)=CC=C(C)Cl.
What is the InChIKey of N-(5-chlorohexa-2,4-dien-2-yl)methanimine?
The InChIKey is RLCHXSQVRHKGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3.
What are the key properties of N-(5-chlorohexa-2,4-dien-2-yl)methanimine?
N-(5-chlorohexa-2,4-dien-2-yl)methanimine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorohexa-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 123399701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).