1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride

C13H18ClNO — CID 21114962

IUPAC1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccccc1)N1CCCC1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11H,5-6,9-10H2,1H3;1H
InChIKeyVQCZQKJXTMYEQV-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.78
Rot. Bonds3

About 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride

1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 21114962) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID21114962
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccccc1)N1CCCC1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11H,5-6,9-10H2,1H3;1H
InChIKeyVQCZQKJXTMYEQV-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
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2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 21114962) is 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride is CC(C(=O)c1ccccc1)N1CCCC1.Cl.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is VQCZQKJXTMYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11H,5-6,9-10H2,1H3;1H.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 21114962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).