[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C11H15N3O2 — CID 115746589

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(CCO)C1
InChIInChI=1S/C11H15N3O2/c15-6-2-9-1-5-14(8-9)11(16)10-7-12-3-4-13-10/h3-4,7,9,15H,1-2,5-6,8H2
InChIKeyAVLBRZOQDUVUCB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 115746589) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID115746589
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(CCO)C1
InChIInChI=1S/C11H15N3O2/c15-6-2-9-1-5-14(8-9)11(16)10-7-12-3-4-13-10/h3-4,7,9,15H,1-2,5-6,8H2
InChIKeyAVLBRZOQDUVUCB-UHFFFAOYSA-N
XLogP0.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 115746589) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is AVLBRZOQDUVUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-6-2-9-1-5-14(8-9)11(16)10-7-12-3-4-13-10/h3-4,7,9,15H,1-2,5-6,8H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 115746589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).