(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone

C11H15N3O2 — CID 136518326

IUPAC(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
SMILESCCC1CN(C(=O)c2cnccn2)CC1O
InChIInChI=1S/C11H15N3O2/c1-2-8-6-14(7-10(8)15)11(16)9-5-12-3-4-13-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeyJZSLGKXOCCSOKC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds2

About (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone

(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 136518326) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
PubChem CID136518326
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
SMILESCCC1CN(C(=O)c2cnccn2)CC1O
InChIInChI=1S/C11H15N3O2/c1-2-8-6-14(7-10(8)15)11(16)9-5-12-3-4-13-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeyJZSLGKXOCCSOKC-UHFFFAOYSA-N
XLogP0.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 135096827
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
(1,5-dimethylpyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 134700217
(2-ethylpyrimidin-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 135118019
(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone
CID 121200757
[(3aR,6aS)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457905
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[(1R,5R)-9-(2,4-diethoxypyrimidin-5-yl)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]-pyrazin-2-ylmethanone
CID 98064894

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone (CID 136518326) is (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone is CCC1CN(C(=O)c2cnccn2)CC1O.
What is the InChIKey of (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is JZSLGKXOCCSOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-8-6-14(7-10(8)15)11(16)9-5-12-3-4-13-9/h3-5,8,10,15H,2,6-7H2,1H3.
What are the key properties of (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone?
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 136518326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).