1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one

C16H21ClN2O2 — CID 104511716

IUPAC1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCCCc1cc(C(=O)N2CC(C(C)C)CC2=O)cc(Cl)n1
InChIInChI=1S/C16H21ClN2O2/c1-4-5-13-6-11(7-14(17)18-13)16(21)19-9-12(10(2)3)8-15(19)20/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyGGCFILRRLVDUBZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one

1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511716) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511716
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCCCc1cc(C(=O)N2CC(C(C)C)CC2=O)cc(Cl)n1
InChIInChI=1S/C16H21ClN2O2/c1-4-5-13-6-11(7-14(17)18-13)16(21)19-9-12(10(2)3)8-15(19)20/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyGGCFILRRLVDUBZ-UHFFFAOYSA-N
XLogP3.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one (CID 104511716) is 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one is CCCc1cc(C(=O)N2CC(C(C)C)CC2=O)cc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is GGCFILRRLVDUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-5-13-6-11(7-14(17)18-13)16(21)19-9-12(10(2)3)8-15(19)20/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-propylpyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).