1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one

C12H14ClN3O2 — CID 107372174

IUPAC1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(C(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C12H14ClN3O2/c1-2-3-8-4-11(17)16(7-8)12(18)9-5-15-10(13)6-14-9/h5-6,8H,2-4,7H2,1H3
InChIKeyBCRLQXJFGBAOQU-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one

1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one (PubChem CID 107372174) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one
PubChem CID107372174
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(C(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C12H14ClN3O2/c1-2-3-8-4-11(17)16(7-8)12(18)9-5-15-10(13)6-14-9/h5-6,8H,2-4,7H2,1H3
InChIKeyBCRLQXJFGBAOQU-UHFFFAOYSA-N
XLogP1.92
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one (CID 107372174) is 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(C(=O)c2cnc(Cl)cn2)C1.
What is the InChIKey of 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one?
The InChIKey is BCRLQXJFGBAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-2-3-8-4-11(17)16(7-8)12(18)9-5-15-10(13)6-14-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one?
1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one has a molecular weight of 267.72 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 107372174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).