methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate

C9H15NO3 — CID 162342084

IUPACmethyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1C[C@H](O)CN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyWTFGSXAWPYATRX-SFYZADRCSA-N
MW185.22 g/mol
LogP0.76
Rot. Bonds2

About methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate

methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 162342084) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID162342084
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1C[C@H](O)CN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyWTFGSXAWPYATRX-SFYZADRCSA-N
XLogP0.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate (CID 162342084) is methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@H]1C[C@H](O)CN1C(=O)OC.
What is the InChIKey of methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is WTFGSXAWPYATRX-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 162342084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).