(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one

C14H23N3O — CID 58120219

IUPAC(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC[C@@H](CCc2cncn2CC)C1=O
InChIInChI=1S/C14H23N3O/c1-3-8-17-9-7-12(14(17)18)5-6-13-10-15-11-16(13)4-2/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyIDAABHZMYVUPLD-GFCCVEGCSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds6

About (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one

(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one (PubChem CID 58120219) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one
PubChem CID58120219
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC[C@@H](CCc2cncn2CC)C1=O
InChIInChI=1S/C14H23N3O/c1-3-8-17-9-7-12(14(17)18)5-6-13-10-15-11-16(13)4-2/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyIDAABHZMYVUPLD-GFCCVEGCSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one (CID 58120219) is (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one is CCCN1CC[C@@H](CCc2cncn2CC)C1=O.
What is the InChIKey of (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one?
The InChIKey is IDAABHZMYVUPLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-17-9-7-12(14(17)18)5-6-13-10-15-11-16(13)4-2/h10-12H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one?
(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 58120219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).