[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate

C14H19Cl2NO4 — CID 10783064

IUPAC[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCCCc1ccc(/C(Cl)=C/C=[N+](C)C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H19ClN.ClHO4/c1-4-5-12-6-8-13(9-7-12)14(15)10-11-16(2)3;2-1(3,4)5/h6-11H,4-5H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b14-10-;
InChIKeyFNZKQYZNIUVFHJ-DZOOLQPHSA-M
MW336.22 g/mol
LogP-1.19
Rot. Bonds4

About [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate

[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 10783064) has the molecular formula C14H19Cl2NO4 and a molecular weight of 336.22 g/mol. Its IUPAC name is [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate
PubChem CID10783064
Molecular FormulaC14H19Cl2NO4
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCCCc1ccc(/C(Cl)=C/C=[N+](C)C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H19ClN.ClHO4/c1-4-5-12-6-8-13(9-7-12)14(15)10-11-16(2)3;2-1(3,4)5/h6-11H,4-5H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b14-10-;
InChIKeyFNZKQYZNIUVFHJ-DZOOLQPHSA-M
XLogP-1.19
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
2-methyl-1-(4-propylphenyl)prop-1-en-1-amine
CID 170745986
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
CID 115569345
1-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]-4-propylbenzene
CID 142266398
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
ethane;4-propylbenzoic acid
CID 91047964
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608
4-propylthiobenzaldehyde
CID 19091704

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate (CID 10783064) is [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate is CCCc1ccc(/C(Cl)=C/C=[N+](C)C)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is FNZKQYZNIUVFHJ-DZOOLQPHSA-M. The full InChI is InChI=1S/C14H19ClN.ClHO4/c1-4-5-12-6-8-13(9-7-12)14(15)10-11-16(2)3;2-1(3,4)5/h6-11H,4-5H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b14-10-;.
What are the key properties of [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate?
[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 336.22 g/mol, XLogP of -1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 10783064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).