(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine

C10H9Cl2NO — CID 173365422

IUPAC(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
SMILESC=CCO/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO/c1-2-5-14-13-7-8-3-4-9(11)6-10(8)12/h2-4,6-7H,1,5H2/b13-7+
InChIKeyKCNDNZGLWDOQHV-NTUHNPAUSA-N
MW230.09 g/mol
LogP3.53
Rot. Bonds4

About (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine

(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine (PubChem CID 173365422) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
PubChem CID173365422
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
SMILESC=CCO/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO/c1-2-5-14-13-7-8-3-4-9(11)6-10(8)12/h2-4,6-7H,1,5H2/b13-7+
InChIKeyKCNDNZGLWDOQHV-NTUHNPAUSA-N
XLogP3.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2436771
propyl 3-[(E)-(2,4-dichlorophenyl)methylideneamino]oxypropanoate
CID 173365406
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
2,4-dichloro-1-ethenylbenzene;styrene
CID 67764431
1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
CID 170944157
(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine
CID 5391093
(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine
CID 6447242
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
CID 2835360
1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
CID 18915507

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine (CID 173365422) is (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine is C=CCO/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine?
The InChIKey is KCNDNZGLWDOQHV-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-2-5-14-13-7-8-3-4-9(11)6-10(8)12/h2-4,6-7H,1,5H2/b13-7+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine?
(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine has a molecular weight of 230.09 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine is sourced from PubChem (CID 173365422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).