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

C18H20NO+ — CID 2723590

IUPAC(3,3-diphenyloxolan-2-ylidene)-dimethylazanium
SMILESC[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20NO/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/q+1
InChIKeyLFTJLBZHKDXXBN-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.06
Rot. Bonds2

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

(3,3-diphenyloxolan-2-ylidene)-dimethylazanium (PubChem CID 2723590) has the molecular formula C18H20NO+ and a molecular weight of 266.36 g/mol. Its IUPAC name is (3,3-diphenyloxolan-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(3,3-diphenyloxolan-2-ylidene)-dimethylazanium
PubChem CID2723590
Molecular FormulaC18H20NO+
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name(3,3-diphenyloxolan-2-ylidene)-dimethylazanium
SMILESC[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20NO/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/q+1
InChIKeyLFTJLBZHKDXXBN-UHFFFAOYSA-N
XLogP3.06
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.06
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?
The IUPAC name of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium (CID 2723590) is (3,3-diphenyloxolan-2-ylidene)-dimethylazanium.
What is the SMILES notation for (3,3-diphenyloxolan-2-ylidene)-dimethylazanium?
The canonical SMILES for (3,3-diphenyloxolan-2-ylidene)-dimethylazanium is C[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium?
The InChIKey is LFTJLBZHKDXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO/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/q+1.
What are the key properties of (3,3-diphenyloxolan-2-ylidene)-dimethylazanium?
(3,3-diphenyloxolan-2-ylidene)-dimethylazanium has a molecular weight of 266.36 g/mol, XLogP of 3.06, 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 is sourced from PubChem (CID 2723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).