(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide

C12H18N4O — CID 126446909

IUPAC(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESC=C[C@H]1CCN(C(=O)NCCc2cnc[nH]2)C1
InChIInChI=1S/C12H18N4O/c1-2-10-4-6-16(8-10)12(17)14-5-3-11-7-13-9-15-11/h2,7,9-10H,1,3-6,8H2,(H,13,15)(H,14,17)/t10-/m0/s1
InChIKeyXLISEKMKFLICOY-JTQLQIEISA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds4

About (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide

(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 126446909) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID126446909
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESC=C[C@H]1CCN(C(=O)NCCc2cnc[nH]2)C1
InChIInChI=1S/C12H18N4O/c1-2-10-4-6-16(8-10)12(17)14-5-3-11-7-13-9-15-11/h2,7,9-10H,1,3-6,8H2,(H,13,15)(H,14,17)/t10-/m0/s1
InChIKeyXLISEKMKFLICOY-JTQLQIEISA-N
XLogP1.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
(2R)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 65231667
(4aS,9aR)-7-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-N-prop-2-enyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742644
N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 119064340
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 65231065
2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 65231671
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide (CID 126446909) is (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide is C=C[C@H]1CCN(C(=O)NCCc2cnc[nH]2)C1.
What is the InChIKey of (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XLISEKMKFLICOY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-10-4-6-16(8-10)12(17)14-5-3-11-7-13-9-15-11/h2,7,9-10H,1,3-6,8H2,(H,13,15)(H,14,17)/t10-/m0/s1.
What are the key properties of (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126446909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).