3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one

C13H17ClN2O — CID 44890909

IUPAC3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(CC(=O)N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c14-11-6-2-1-5-10(11)12(15)9-13(17)16-7-3-4-8-16/h1-2,5-6,12H,3-4,7-9,15H2
InChIKeyRZIQPEBTPGNDLC-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.35
Rot. Bonds3

About 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one

3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 44890909) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID44890909
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(CC(=O)N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c14-11-6-2-1-5-10(11)12(15)9-13(17)16-7-3-4-8-16/h1-2,5-6,12H,3-4,7-9,15H2
InChIKeyRZIQPEBTPGNDLC-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
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3-amino-3-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851410
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 44890909) is 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one is NC(CC(=O)N1CCCC1)c1ccccc1Cl.
What is the InChIKey of 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RZIQPEBTPGNDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-6-2-1-5-10(11)12(15)9-13(17)16-7-3-4-8-16/h1-2,5-6,12H,3-4,7-9,15H2.
What are the key properties of 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 252.75 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 44890909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).