5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid

C18H19N3O2 — CID 154747168

IUPAC5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CN2CCCC2C=Cc2ccccc2)cn1
InChIInChI=1S/C18H19N3O2/c22-18(23)17-12-19-15(11-20-17)13-21-10-4-7-16(21)9-8-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,22,23)
InChIKeyWDNJAQMRGHQTOE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.85
Rot. Bonds5

About 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid

5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid (PubChem CID 154747168) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid
PubChem CID154747168
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CN2CCCC2C=Cc2ccccc2)cn1
InChIInChI=1S/C18H19N3O2/c22-18(23)17-12-19-15(11-20-17)13-21-10-4-7-16(21)9-8-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,22,23)
InChIKeyWDNJAQMRGHQTOE-UHFFFAOYSA-N
XLogP2.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
2-[4-[[2-[(E)-2-phenylethenyl]azepan-1-yl]methyl]triazol-1-yl]acetic acid
CID 167954999
7-[[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124729291
7-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126799901
5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 137343550
5-[[2-(4-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 136575201
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole
CID 75451554
5-[[4-(2-bromophenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 136555441
[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 126786794
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320662
4-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674341

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid (CID 154747168) is 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(CN2CCCC2C=Cc2ccccc2)cn1.
What is the InChIKey of 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid?
The InChIKey is WDNJAQMRGHQTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(23)17-12-19-15(11-20-17)13-21-10-4-7-16(21)9-8-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,22,23).
What are the key properties of 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid?
5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 154747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).