prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate

C13H19N3O3 — CID 19971456

IUPACprop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O)CC1CCn1ccnc1
InChIInChI=1S/C13H19N3O3/c1-2-7-19-13(18)16-9-12(17)8-11(16)3-5-15-6-4-14-10-15/h2,4,6,10-12,17H,1,3,5,7-9H2
InChIKeyNWQLHXNMRVAIKD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds5

About prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate

prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate (PubChem CID 19971456) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate
PubChem CID19971456
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameprop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O)CC1CCn1ccnc1
InChIInChI=1S/C13H19N3O3/c1-2-7-19-13(18)16-9-12(17)8-11(16)3-5-15-6-4-14-10-15/h2,4,6,10-12,17H,1,3,5,7-9H2
InChIKeyNWQLHXNMRVAIKD-UHFFFAOYSA-N
XLogP1.03
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2R,4R)-4-hydroxy-2-[(2S)-2-imidazol-1-ylpropyl]pyrrolidine-1-carboxylate
CID 56980657
benzyl (2S,4R)-4-hydroxy-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 15086212
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66051208
(2S,4R)-4-hydroxy-1-(3-imidazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63843030
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
2-imidazol-1-ylethanol
CID 159023310
1-but-3-enylimidazole;formic acid
CID 173073121
prop-2-enyl (2R,4S)-4-benzoylsulfanyl-2-[2-(2-carbamoylimidazol-1-yl)ethyl]pyrrolidine-1-carboxylate
CID 57258433
prop-2-enyl (2R,4R)-2-[2-[2-(1,3-dioxoisoindol-2-yl)imidazol-1-yl]ethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 54080198
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
prop-2-enyl (2S,4S)-4-hydroxy-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 139994972

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate (CID 19971456) is prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O)CC1CCn1ccnc1.
What is the InChIKey of prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate?
The InChIKey is NWQLHXNMRVAIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-7-19-13(18)16-9-12(17)8-11(16)3-5-15-6-4-14-10-15/h2,4,6,10-12,17H,1,3,5,7-9H2.
What are the key properties of prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate?
prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19971456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).