4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one

C9H10ClN3O — CID 43521189

IUPAC4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Cl)cn2)C1
InChIInChI=1S/C9H10ClN3O/c10-6-1-2-8(12-4-6)13-5-7(11)3-9(13)14/h1-2,4,7H,3,5,11H2
InChIKeyVSHXAQYCJDTGKT-UHFFFAOYSA-N
MW211.65 g/mol
LogP0.80
Rot. Bonds1

About 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one

4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 43521189) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
PubChem CID43521189
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Cl)cn2)C1
InChIInChI=1S/C9H10ClN3O/c10-6-1-2-8(12-4-6)13-5-7(11)3-9(13)14/h1-2,4,7H,3,5,11H2
InChIKeyVSHXAQYCJDTGKT-UHFFFAOYSA-N
XLogP0.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168700677
4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168701326
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168700683
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168699714
4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
CID 168700844
4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183872
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168700907

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one (CID 43521189) is 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one is NC1CC(=O)N(c2ccc(Cl)cn2)C1.
What is the InChIKey of 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is VSHXAQYCJDTGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-6-1-2-8(12-4-6)13-5-7(11)3-9(13)14/h1-2,4,7H,3,5,11H2.
What are the key properties of 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one?
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 43521189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).