[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone

C14H25N3O2Si — CID 171461010

IUPAC[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C14H25N3O2Si/c1-14(2,3)20(4,5)19-12-6-8-16(10-12)13(18)17-9-7-15-11-17/h7,9,11-12H,6,8,10H2,1-5H3/t12-/m1/s1
InChIKeyPRNRDIDRRRCXRL-GFCCVEGCSA-N
MW295.46 g/mol
LogP2.95
Rot. Bonds2

About [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone

[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 171461010) has the molecular formula C14H25N3O2Si and a molecular weight of 295.46 g/mol. Its IUPAC name is [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone
PubChem CID171461010
Molecular FormulaC14H25N3O2Si
Molecular Weight295.46 g/mol
Exact Mass295.17
IUPAC Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C14H25N3O2Si/c1-14(2,3)20(4,5)19-12-6-8-16(10-12)13(18)17-9-7-15-11-17/h7,9,11-12H,6,8,10H2,1-5H3/t12-/m1/s1
InChIKeyPRNRDIDRRRCXRL-GFCCVEGCSA-N
XLogP2.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(imidazole-1-carbonyloxy)pyrrolidine-1-carboxylic acid
CID 70886432
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone
CID 115760429
tert-butyl (1R,5S)-7-(imidazole-1-carbonyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 72697625
tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone
CID 81258043
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 70336627
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
CID 90311649
3-[tert-butyl(dimethyl)silyl]oxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 175874654
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylic acid
CID 90782508
2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol
CID 155699527
[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
CID 112732538

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone (CID 171461010) is [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)n2ccnc2)C1.
What is the InChIKey of [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is PRNRDIDRRRCXRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2Si/c1-14(2,3)20(4,5)19-12-6-8-16(10-12)13(18)17-9-7-15-11-17/h7,9,11-12H,6,8,10H2,1-5H3/t12-/m1/s1.
What are the key properties of [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone?
[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 295.46 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 171461010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).