[1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide

C23H26BrNOP+ — CID 126960652

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide
SMILESBr.CC(C(=O)N(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NOP.BrH/c1-19(23(25)24(2)3)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,1-3H3;1H/q+1;
InChIKeyPDCKSMFPYHRHDC-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.04
Rot. Bonds5

About [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide

[1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide (PubChem CID 126960652) has the molecular formula C23H26BrNOP+ and a molecular weight of 443.35 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide
PubChem CID126960652
Molecular FormulaC23H26BrNOP+
Molecular Weight443.35 g/mol
Exact Mass442.09
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide
SMILESBr.CC(C(=O)N(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NOP.BrH/c1-19(23(25)24(2)3)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,1-3H3;1H/q+1;
InChIKeyPDCKSMFPYHRHDC-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Methoxy-N-methyl(triphenylphosphoranylidene)acetamide
CID 2773656
3-(Dimethylamino)propyl-triphenylphosphanium;bromide
CID 15982517
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
(3-(Dimethylamino)propyl)triphenylphosphonium bromide hydrobromide
CID 23651404
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
(2-(Dimethylamino)ethyl)triphenylphosphonium bromide
CID 2724136
2-(Dimethylcarbamoyl)prop-2-enyl-triphenylphosphanium bromide
CID 164611581
N-(Triphenyl-lambda5-phosphanylidene)acetamide
CID 3896273
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
N-(triphenyl-lambda5-phosphanylidene)propanamide
CID 13438792

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide (CID 126960652) is [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide is Br.CC(C(=O)N(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide?
The InChIKey is PDCKSMFPYHRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOP.BrH/c1-19(23(25)24(2)3)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,1-3H3;1H/q+1;.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide?
[1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide has a molecular weight of 443.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl]-triphenylphosphanium;hydrobromide is sourced from PubChem (CID 126960652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).