[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride

C11H14Cl3NO — CID 10968004

IUPAC[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
SMILESC[NH+](C)CCC(=O)c1ccc(Cl)c(Cl)c1.[Cl-]
InChIInChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyPRRKQCKNKRZOPV-UHFFFAOYSA-N
MW282.60 g/mol
LogP-1.29
Rot. Bonds4

About [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride

[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride (PubChem CID 10968004) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
PubChem CID10968004
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
SMILESC[NH+](C)CCC(=O)c1ccc(Cl)c(Cl)c1.[Cl-]
InChIInChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyPRRKQCKNKRZOPV-UHFFFAOYSA-N
XLogP-1.29
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3,4-dichlorophenyl)-4-methylhexan-1-one
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1-(3,4-dichlorophenyl)-2-sulfanylethanone
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3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(3,4-dichlorophenyl)-4-(propan-2-ylamino)butan-1-one
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3-(3,4-dichlorophenyl)-3-oxopropanenitrile
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1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
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CID 64641102

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride?
The IUPAC name of [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride (CID 10968004) is [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride.
What is the SMILES notation for [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride?
The canonical SMILES for [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride is C[NH+](C)CCC(=O)c1ccc(Cl)c(Cl)c1.[Cl-].
What is the InChIKey of [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride?
The InChIKey is PRRKQCKNKRZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H.
What are the key properties of [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride?
[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride has a molecular weight of 282.60 g/mol, XLogP of -1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride is sourced from PubChem (CID 10968004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).