3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one

C11H16ClN3O — CID 114561830

IUPAC3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CCCN1CCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-11(16)15(9-4-13-10)8-3-7-14-5-1-2-6-14/h4,9H,1-3,5-8H2
InChIKeyHQXZMFLUTXUACW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.38
Rot. Bonds4

About 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one

3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one (PubChem CID 114561830) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one
PubChem CID114561830
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CCCN1CCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-11(16)15(9-4-13-10)8-3-7-14-5-1-2-6-14/h4,9H,1-3,5-8H2
InChIKeyHQXZMFLUTXUACW-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one?
The IUPAC name of 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one (CID 114561830) is 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one?
The canonical SMILES for 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one is O=c1c(Cl)nccn1CCCN1CCCC1.
What is the InChIKey of 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one?
The InChIKey is HQXZMFLUTXUACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-11(16)15(9-4-13-10)8-3-7-14-5-1-2-6-14/h4,9H,1-3,5-8H2.
What are the key properties of 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one?
3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one has a molecular weight of 241.72 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one is sourced from PubChem (CID 114561830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).