5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride

C19H22ClNO2 — CID 45262261

IUPAC5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCN(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-20(2)14-17-13-19(18(21)22-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
InChIKeyDGYAWRYDXNJQND-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.27
Rot. Bonds4

About 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride

5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45262261) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45262261
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCN(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-20(2)14-17-13-19(18(21)22-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
InChIKeyDGYAWRYDXNJQND-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Dioxaphetyl Butyrate
CID 48194
Furethidine
CID 61306

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45262261) is 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is CN(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is DGYAWRYDXNJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c1-20(2)14-17-13-19(18(21)22-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H.
What are the key properties of 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45262261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).