[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C12H17N3O2 — CID 154222336

IUPAC[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C12H17N3O2/c16-12(10-4-2-8-17-10)15-7-1-3-9(15)11-13-5-6-14-11/h5-6,9-10H,1-4,7-8H2,(H,13,14)/t9-,10+/m0/s1
InChIKeyINBZOVTVMXQWDE-VHSXEESVSA-N
MW235.29 g/mol
LogP1.25
Rot. Bonds2

About [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 154222336) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID154222336
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C12H17N3O2/c16-12(10-4-2-8-17-10)15-7-1-3-9(15)11-13-5-6-14-11/h5-6,9-10H,1-4,7-8H2,(H,13,14)/t9-,10+/m0/s1
InChIKeyINBZOVTVMXQWDE-VHSXEESVSA-N
XLogP1.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 56749755
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623
(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide
CID 126440316
1-[(3S)-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-pentoxyethanone
CID 164643225
[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129340069
1-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 137851102
2,2-difluoro-1-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 154765163
[1-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] carbamate
CID 68796743
[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 141206044
N-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 3649480
N-[3-(1H-imidazol-1-yl)propyl]tetrahydrofuran-2-carboxamide
CID 4693579
N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 5196114

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 154222336) is [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC[C@H]1c1ncc[nH]1.
What is the InChIKey of [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is INBZOVTVMXQWDE-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(10-4-2-8-17-10)15-7-1-3-9(15)11-13-5-6-14-11/h5-6,9-10H,1-4,7-8H2,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 154222336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).