1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one

C16H22N2O2 — CID 126441341

IUPAC1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one
SMILESCCC[C@@H]1C=CCN1C(=O)c1ccc(C)n(CC)c1=O
InChIInChI=1S/C16H22N2O2/c1-4-7-13-8-6-11-18(13)16(20)14-10-9-12(3)17(5-2)15(14)19/h6,8-10,13H,4-5,7,11H2,1-3H3/t13-/m1/s1
InChIKeyPTTYQSLDNGJOTE-CYBMUJFWSA-N
MW274.36 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one

1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one (PubChem CID 126441341) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one
PubChem CID126441341
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one
SMILESCCC[C@@H]1C=CCN1C(=O)c1ccc(C)n(CC)c1=O
InChIInChI=1S/C16H22N2O2/c1-4-7-13-8-6-11-18(13)16(20)14-10-9-12(3)17(5-2)15(14)19/h6,8-10,13H,4-5,7,11H2,1-3H3/t13-/m1/s1
InChIKeyPTTYQSLDNGJOTE-CYBMUJFWSA-N
XLogP2.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one (CID 126441341) is 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one is CCC[C@@H]1C=CCN1C(=O)c1ccc(C)n(CC)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one?
The InChIKey is PTTYQSLDNGJOTE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-7-13-8-6-11-18(13)16(20)14-10-9-12(3)17(5-2)15(14)19/h6,8-10,13H,4-5,7,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one?
1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 126441341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).