(4-carbonochloridoylphenyl)methyl-trimethylazanium

C11H15ClNO+ — CID 59290041

IUPAC(4-carbonochloridoylphenyl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C11H15ClNO/c1-13(2,3)8-9-4-6-10(7-5-9)11(12)14/h4-7H,8H2,1-3H3/q+1
InChIKeyBJGHZWOCMUGDML-UHFFFAOYSA-N
MW212.70 g/mol
LogP2.27
Rot. Bonds3

About (4-carbonochloridoylphenyl)methyl-trimethylazanium

(4-carbonochloridoylphenyl)methyl-trimethylazanium (PubChem CID 59290041) has the molecular formula C11H15ClNO+ and a molecular weight of 212.70 g/mol. Its IUPAC name is (4-carbonochloridoylphenyl)methyl-trimethylazanium.

Molecular Properties

Compound Name(4-carbonochloridoylphenyl)methyl-trimethylazanium
PubChem CID59290041
Molecular FormulaC11H15ClNO+
Molecular Weight212.70 g/mol
Exact Mass212.08
IUPAC Name(4-carbonochloridoylphenyl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C11H15ClNO/c1-13(2,3)8-9-4-6-10(7-5-9)11(12)14/h4-7H,8H2,1-3H3/q+1
InChIKeyBJGHZWOCMUGDML-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl)methyl-trimethylazanium
CID 4054341
[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
CID 170860760
[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
CID 171634573
(4-benzoylphenyl)methyl-trimethylazanium;propane;chloride
CID 174849581
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
(4-chlorophenyl)methyl-trimethylazanium bromide
CID 14157089
4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride
CID 71409950
4-(acetamidomethyl)benzoyl chloride
CID 13131539
4-methylbenzoyl chloride
CID 13405
4-(3-chloropropyl)benzoyl chloride
CID 86624859
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524

Frequently Asked Questions

What is the IUPAC name of (4-carbonochloridoylphenyl)methyl-trimethylazanium?
The IUPAC name of (4-carbonochloridoylphenyl)methyl-trimethylazanium (CID 59290041) is (4-carbonochloridoylphenyl)methyl-trimethylazanium.
What is the SMILES notation for (4-carbonochloridoylphenyl)methyl-trimethylazanium?
The canonical SMILES for (4-carbonochloridoylphenyl)methyl-trimethylazanium is C[N+](C)(C)Cc1ccc(C(=O)Cl)cc1.
What is the InChIKey of (4-carbonochloridoylphenyl)methyl-trimethylazanium?
The InChIKey is BJGHZWOCMUGDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClNO/c1-13(2,3)8-9-4-6-10(7-5-9)11(12)14/h4-7H,8H2,1-3H3/q+1.
What are the key properties of (4-carbonochloridoylphenyl)methyl-trimethylazanium?
(4-carbonochloridoylphenyl)methyl-trimethylazanium has a molecular weight of 212.70 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbonochloridoylphenyl)methyl-trimethylazanium is sourced from PubChem (CID 59290041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).