1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one

C11H17N3O2 — CID 62927464

IUPAC1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCCC2CO)c1=O
InChIInChI=1S/C11H17N3O2/c1-2-13-7-5-12-10(11(13)16)14-6-3-4-9(14)8-15/h5,7,9,15H,2-4,6,8H2,1H3
InChIKeyPNEJWZVKTMTCHN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.22
Rot. Bonds3

About 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one

1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 62927464) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
PubChem CID62927464
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCCC2CO)c1=O
InChIInChI=1S/C11H17N3O2/c1-2-13-7-5-12-10(11(13)16)14-6-3-4-9(14)8-15/h5,7,9,15H,2-4,6,8H2,1H3
InChIKeyPNEJWZVKTMTCHN-UHFFFAOYSA-N
XLogP0.22
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-ethyl-3-oxopyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 177661593
2-[Ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 123627783
6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142846941
1-(3-Oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 55138613
3-[2-(Hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 55155277
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 55155850
3-[Cyclopentyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 55156237
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 62927463
1-Ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one
CID 62927635
1-Cyclopropyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62927636
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 62927637
3-[2-(Hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one
CID 62927802

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one (CID 62927464) is 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCCC2CO)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is PNEJWZVKTMTCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-13-7-5-12-10(11(13)16)14-6-3-4-9(14)8-15/h5,7,9,15H,2-4,6,8H2,1H3.
What are the key properties of 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one?
1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62927464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).