(3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide

C18H20BrNO — CID 2723589

IUPAC(3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide
SMILESC[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
InChIKeyQJPXLCQSAFQCBD-UHFFFAOYSA-M
MW346.27 g/mol
LogP0.07
Rot. Bonds2

About (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide

(3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide (PubChem CID 2723589) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide.

Molecular Properties

Compound Name(3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide
PubChem CID2723589
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide
SMILESC[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
InChIKeyQJPXLCQSAFQCBD-UHFFFAOYSA-M
XLogP0.07
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide?
The IUPAC name of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide (CID 2723589) is (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide.
What is the SMILES notation for (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide?
The canonical SMILES for (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide is C[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide?
The InChIKey is QJPXLCQSAFQCBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1.
What are the key properties of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide?
(3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide has a molecular weight of 346.27 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide is sourced from PubChem (CID 2723589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).