1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride

C19H21ClNO- — CID 53347376

IUPAC1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
SMILESO=C(c1ccccc1)C(CN1CCCC1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H21NO.ClH/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16;/h1-6,9-12,18H,7-8,13-15H2;1H/p-1
InChIKeyIHKNYPYJYZUMMA-UHFFFAOYSA-M
MW314.84 g/mol
LogP0.75
Rot. Bonds5

About 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride

1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride (PubChem CID 53347376) has the molecular formula C19H21ClNO- and a molecular weight of 314.84 g/mol. Its IUPAC name is 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride.

Molecular Properties

Compound Name1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
PubChem CID53347376
Molecular FormulaC19H21ClNO-
Molecular Weight314.84 g/mol
Exact Mass314.13
IUPAC Name1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
SMILESO=C(c1ccccc1)C(CN1CCCC1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H21NO.ClH/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16;/h1-6,9-12,18H,7-8,13-15H2;1H/p-1
InChIKeyIHKNYPYJYZUMMA-UHFFFAOYSA-M
XLogP0.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one
CID 117066200
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000
2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 4209385
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride?
The IUPAC name of 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride (CID 53347376) is 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride.
What is the SMILES notation for 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride?
The canonical SMILES for 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride is O=C(c1ccccc1)C(CN1CCCC1)c1ccccc1.[Cl-].
What is the InChIKey of 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride?
The InChIKey is IHKNYPYJYZUMMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21NO.ClH/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16;/h1-6,9-12,18H,7-8,13-15H2;1H/p-1.
What are the key properties of 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride?
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride has a molecular weight of 314.84 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride is sourced from PubChem (CID 53347376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).