2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid

C11H17N3O2 — CID 174605249

IUPAC2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid
SMILESC=CCc1ncc[nH]1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H8N2.C5H9NO2/c1-2-3-6-7-4-5-8-6;7-5(8)4-2-1-3-6-4/h2,4-5H,1,3H2,(H,7,8);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyULOFPHIGUCCRAQ-VWMHFEHESA-N
MW223.28 g/mol
LogP0.96
Rot. Bonds3

About 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid

2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 174605249) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID174605249
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid
SMILESC=CCc1ncc[nH]1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H8N2.C5H9NO2/c1-2-3-6-7-4-5-8-6;7-5(8)4-2-1-3-6-4/h2,4-5H,1,3H2,(H,7,8);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyULOFPHIGUCCRAQ-VWMHFEHESA-N
XLogP0.96
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-prop-2-enyl-1H-imidazole
CID 67424807
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CID 145376752
calcium;(2S)-pyrrolidine-2-carboxylic acid;dichloride
CID 174944173
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
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CID 160825816

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid (CID 174605249) is 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid is C=CCc1ncc[nH]1.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is ULOFPHIGUCCRAQ-VWMHFEHESA-N. The full InChI is InChI=1S/C6H8N2.C5H9NO2/c1-2-3-6-7-4-5-8-6;7-5(8)4-2-1-3-6-4/h2,4-5H,1,3H2,(H,7,8);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid?
2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174605249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).