4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one

C16H21ClN2O2 — CID 82193162

IUPAC4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1C1C(N)CC(=O)N1C1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-21-14-7-6-10(17)8-12(14)16-13(18)9-15(20)19(16)11-4-2-3-5-11/h6-8,11,13,16H,2-5,9,18H2,1H3
InChIKeyICCUFVVECZEION-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.89
Rot. Bonds3

About 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one

4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one (PubChem CID 82193162) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one
PubChem CID82193162
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1C1C(N)CC(=O)N1C1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-21-14-7-6-10(17)8-12(14)16-13(18)9-15(20)19(16)11-4-2-3-5-11/h6-8,11,13,16H,2-5,9,18H2,1H3
InChIKeyICCUFVVECZEION-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65021981
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2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
4-amino-1-tert-butyl-5-(3-chloro-4-methoxyphenyl)pyrrolidin-2-one
CID 65021842
4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one
CID 82193310
(2S)-2-(5-chloro-2-methoxyphenyl)pyrrolidin-1-ium
CID 7047874
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,3-dione
CID 108600444
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-1-cyclopentyl-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108618059

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one (CID 82193162) is 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one is COc1ccc(Cl)cc1C1C(N)CC(=O)N1C1CCCC1.
What is the InChIKey of 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one?
The InChIKey is ICCUFVVECZEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-14-7-6-10(17)8-12(14)16-13(18)9-15(20)19(16)11-4-2-3-5-11/h6-8,11,13,16H,2-5,9,18H2,1H3.
What are the key properties of 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one?
4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 82193162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).