2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium

C12H13ClN+ — CID 144859443

IUPAC2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium
SMILESC#CC[NH2+]CC(=C)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN/c1-3-8-14-9-10(2)11-4-6-12(13)7-5-11/h1,4-7,14H,2,8-9H2/p+1
InChIKeyAONVMXSMCWGOIQ-UHFFFAOYSA-O
MW206.70 g/mol
LogP1.55
Rot. Bonds4

About 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium

2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium (PubChem CID 144859443) has the molecular formula C12H13ClN+ and a molecular weight of 206.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium.

Molecular Properties

Compound Name2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium
PubChem CID144859443
Molecular FormulaC12H13ClN+
Molecular Weight206.70 g/mol
Exact Mass206.07
IUPAC Name2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium
SMILESC#CC[NH2+]CC(=C)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN/c1-3-8-14-9-10(2)11-4-6-12(13)7-5-11/h1,4-7,14H,2,8-9H2/p+1
InChIKeyAONVMXSMCWGOIQ-UHFFFAOYSA-O
XLogP1.55
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromoprop-1-en-2-yl)-4-chlorobenzene
CID 11253250
2-(4-chlorophenyl)prop-2-enyl-methyl-prop-2-ynylazanium;2-hydroxy-2-oxoacetate
CID 118733536
5-(4-chlorophenyl)hex-5-enenitrile
CID 21468007
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
1-(4-chlorophenyl)ethenamine
CID 122642948
7-(4-chlorophenyl)oct-7-en-4-ol
CID 13235819
1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
CID 143850476
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
CID 102130678
4-(4-chlorophenyl)-3-methylhepta-1,2-dien-6-yn-4-ol
CID 139260560
1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
CID 125476058
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium?
The IUPAC name of 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium (CID 144859443) is 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium.
What is the SMILES notation for 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium?
The canonical SMILES for 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium is C#CC[NH2+]CC(=C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium?
The InChIKey is AONVMXSMCWGOIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H12ClN/c1-3-8-14-9-10(2)11-4-6-12(13)7-5-11/h1,4-7,14H,2,8-9H2/p+1.
What are the key properties of 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium?
2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium has a molecular weight of 206.70 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)prop-2-enyl-prop-2-ynylazanium is sourced from PubChem (CID 144859443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).