1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one

C17H15N3O — CID 159105946

IUPAC1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2c(c1)C(c1cccnc1)=NC2
InChIInChI=1S/C17H15N3O/c21-16-4-2-8-20(16)14-6-5-12-11-19-17(15(12)9-14)13-3-1-7-18-10-13/h1,3,5-7,9-10H,2,4,8,11H2
InChIKeyPCIVIVQLAZFFNC-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.56
Rot. Bonds2

About 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one

1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one (PubChem CID 159105946) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
PubChem CID159105946
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2c(c1)C(c1cccnc1)=NC2
InChIInChI=1S/C17H15N3O/c21-16-4-2-8-20(16)14-6-5-12-11-19-17(15(12)9-14)13-3-1-7-18-10-13/h1,3,5-7,9-10H,2,4,8,11H2
InChIKeyPCIVIVQLAZFFNC-UHFFFAOYSA-N
XLogP2.56
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one (CID 159105946) is 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one is O=C1CCCN1c1ccc2c(c1)C(c1cccnc1)=NC2.
What is the InChIKey of 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one?
The InChIKey is PCIVIVQLAZFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16-4-2-8-20(16)14-6-5-12-11-19-17(15(12)9-14)13-3-1-7-18-10-13/h1,3,5-7,9-10H,2,4,8,11H2.
What are the key properties of 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one?
1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 159105946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).