[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium

C13H18ClN — CID 148841270

IUPAC[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)C/C(Cl)=C(\C)c1ccccc1
InChIInChI=1S/C13H18ClN/c1-11(12-8-6-5-7-9-12)13(14)10-15(2,3)4/h5-9H,2,10H2,1,3-4H3/b13-11-
InChIKeyOVOYBERROUEMGY-QBFSEMIESA-N
MW223.75 g/mol
LogP3.52
Rot. Bonds3

About [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium

[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium (PubChem CID 148841270) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium.

Molecular Properties

Compound Name[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium
PubChem CID148841270
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)C/C(Cl)=C(\C)c1ccccc1
InChIInChI=1S/C13H18ClN/c1-11(12-8-6-5-7-9-12)13(14)10-15(2,3)4/h5-9H,2,10H2,1,3-4H3/b13-11-
InChIKeyOVOYBERROUEMGY-QBFSEMIESA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
trimethyl(phenacyl)azanium chloride
CID 10443212
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
2,3-diphenylbut-2-en-1-ol
CID 91085638
(Z)-2-fluoro-3-phenylbut-2-en-1-ol
CID 13492187
(E)-2-fluoro-3-phenylbut-2-en-1-ol
CID 102075311
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
[(E)-3-phenylbut-2-en-2-yl]diazene
CID 123278445
acetyl chloride;benzamide
CID 160666659

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium?
The IUPAC name of [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium (CID 148841270) is [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium.
What is the SMILES notation for [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium?
The canonical SMILES for [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium is [CH2-][N+](C)(C)C/C(Cl)=C(\C)c1ccccc1.
What is the InChIKey of [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium?
The InChIKey is OVOYBERROUEMGY-QBFSEMIESA-N. The full InChI is InChI=1S/C13H18ClN/c1-11(12-8-6-5-7-9-12)13(14)10-15(2,3)4/h5-9H,2,10H2,1,3-4H3/b13-11-.
What are the key properties of [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium?
[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium has a molecular weight of 223.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium is sourced from PubChem (CID 148841270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).