1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one

C13H16ClNO — CID 43227582

IUPAC1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C13H16ClNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyULRSISQFKHWZNP-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one

1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 43227582) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID43227582
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C13H16ClNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyULRSISQFKHWZNP-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bupropion
CID 444
Diethylpropion
CID 7029
Bupropion Hydrochloride
CID 62884
Diethylpropion Hydrochloride
CID 91442
Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373
Bupropion Hydrobromide
CID 11984562
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
alpha-Pyrrolidinononanophenone
CID 69247748
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
alpha-PHP
CID 102107923
3-Chloromethcathinone hydrochloride
CID 90645589

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one (CID 43227582) is 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ULRSISQFKHWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one?
1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 237.73 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43227582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).