1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride

C19H22ClNO — CID 2893444

IUPAC1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H21NO.ClH/c21-19(17-9-5-2-6-10-17)12-14-20-13-11-18(15-20)16-7-3-1-4-8-16;/h1-10,18H,11-15H2;1H
InChIKeyHTZIKQWUYGKHAK-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.17
Rot. Bonds5

About 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride

1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 2893444) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID2893444
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H21NO.ClH/c21-19(17-9-5-2-6-10-17)12-14-20-13-11-18(15-20)16-7-3-1-4-8-16;/h1-10,18H,11-15H2;1H
InChIKeyHTZIKQWUYGKHAK-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 2893444) is 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride is Cl.O=C(CCN1CCC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is HTZIKQWUYGKHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c21-19(17-9-5-2-6-10-17)12-14-20-13-11-18(15-20)16-7-3-1-4-8-16;/h1-10,18H,11-15H2;1H.
What are the key properties of 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride?
1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 2893444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).