(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine

C8H10ClN — CID 134534701

IUPAC(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)C(=C)Cl
InChIInChI=1S/C8H10ClN/c1-4-8(7(2)9)5-6-10-3/h4-6H,1-2H2,3H3/b8-5+,10-6+
InChIKeyDTFBSSKKSPIWEJ-YLDLMLGBSA-N
MW155.63 g/mol
LogP2.55
Rot. Bonds3

About (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine

(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine (PubChem CID 134534701) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine
PubChem CID134534701
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)C(=C)Cl
InChIInChI=1S/C8H10ClN/c1-4-8(7(2)9)5-6-10-3/h4-6H,1-2H2,3H3/b8-5+,10-6+
InChIKeyDTFBSSKKSPIWEJ-YLDLMLGBSA-N
XLogP2.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.55
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

(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
N'-(1-chloroethenyl)-N-methylethane-1,2-diimine
CID 91227377
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
ethane;(E)-2-ethenyl-4-methyliminobut-2-enal
CID 145154775
(2E,3Z)-2-(2-methyliminoethylidene)hexa-3,5-dienoic acid
CID 146912098
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
(Z)-3-ethenyl-N,6,6-trimethylhept-2-en-1-imine
CID 153353833
5-chloro-4-ethenylhexa-3,5-dienoic acid
CID 57084398
(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine
CID 102196046
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
(3E,5E)-5-chloro-3-ethenyl-2-methylhepta-1,3,5-triene
CID 144627695
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984

Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine (CID 134534701) is (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine is C=C/C(=C\C=N\C)C(=C)Cl.
What is the InChIKey of (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine?
The InChIKey is DTFBSSKKSPIWEJ-YLDLMLGBSA-N. The full InChI is InChI=1S/C8H10ClN/c1-4-8(7(2)9)5-6-10-3/h4-6H,1-2H2,3H3/b8-5+,10-6+.
What are the key properties of (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine?
(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine has a molecular weight of 155.63 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 134534701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).