methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate

C14H18N2O3 — CID 91072621

IUPACmethyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
SMILESC=Cc1cccnc1O[C@@H]1C[C@@H](C)N(C(=O)OC)C1
InChIInChI=1S/C14H18N2O3/c1-4-11-6-5-7-15-13(11)19-12-8-10(2)16(9-12)14(17)18-3/h4-7,10,12H,1,8-9H2,2-3H3/t10-,12-/m1/s1
InChIKeyWUGIAUIYMXOODO-ZYHUDNBSSA-N
MW262.31 g/mol
LogP2.33
Rot. Bonds3

About methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate

methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate (PubChem CID 91072621) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
PubChem CID91072621
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
SMILESC=Cc1cccnc1O[C@@H]1C[C@@H](C)N(C(=O)OC)C1
InChIInChI=1S/C14H18N2O3/c1-4-11-6-5-7-15-13(11)19-12-8-10(2)16(9-12)14(17)18-3/h4-7,10,12H,1,8-9H2,2-3H3/t10-,12-/m1/s1
InChIKeyWUGIAUIYMXOODO-ZYHUDNBSSA-N
XLogP2.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate (CID 91072621) is methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate is C=Cc1cccnc1O[C@@H]1C[C@@H](C)N(C(=O)OC)C1.
What is the InChIKey of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
The InChIKey is WUGIAUIYMXOODO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-11-6-5-7-15-13(11)19-12-8-10(2)16(9-12)14(17)18-3/h4-7,10,12H,1,8-9H2,2-3H3/t10-,12-/m1/s1.
What are the key properties of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 91072621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).