prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate

C12H16N4O2 — CID 89068665

IUPACprop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CC[C@@H](Nc2cnccn2)C1
InChIInChI=1S/C12H16N4O2/c1-9(2)18-12(17)16-6-3-10(8-16)15-11-7-13-4-5-14-11/h4-5,7,10H,1,3,6,8H2,2H3,(H,14,15)/t10-/m1/s1
InChIKeyYEQRJHMFANYVBH-SNVBAGLBSA-N
MW248.29 g/mol
LogP1.63
Rot. Bonds3

About prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate

prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 89068665) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID89068665
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameprop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CC[C@@H](Nc2cnccn2)C1
InChIInChI=1S/C12H16N4O2/c1-9(2)18-12(17)16-6-3-10(8-16)15-11-7-13-4-5-14-11/h4-5,7,10H,1,3,6,8H2,2H3,(H,14,15)/t10-/m1/s1
InChIKeyYEQRJHMFANYVBH-SNVBAGLBSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 167905138
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
1-[4-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]piperidin-1-yl]ethanone
CID 155986841
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate (CID 89068665) is prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate is C=C(C)OC(=O)N1CC[C@@H](Nc2cnccn2)C1.
What is the InChIKey of prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is YEQRJHMFANYVBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9(2)18-12(17)16-6-3-10(8-16)15-11-7-13-4-5-14-11/h4-5,7,10H,1,3,6,8H2,2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate?
prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 89068665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).