tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate

C10H15NO4 — CID 174840532

IUPACtert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CCC1OC=O
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-6-4-5-8(11)14-7-12/h4,6-8H,5H2,1-3H3
InChIKeySGKNZWRFDKWEOO-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate

tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate (PubChem CID 174840532) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate
PubChem CID174840532
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CCC1OC=O
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-6-4-5-8(11)14-7-12/h4,6-8H,5H2,1-3H3
InChIKeySGKNZWRFDKWEOO-UHFFFAOYSA-N
XLogP1.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 118329389
tert-butyl (2S)-2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 171048922
ditert-butyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
CID 11173242
ditert-butyl 2,3-dihydropyrrole-1,2-dicarboxylate
CID 76804679
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate;bis(tert-butyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate);formamide
CID 158217220
tert-butyl 2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 66545572
tert-butyl (2R,4S)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 121403612
tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 166040386
tert-butyl (2S)-2-formyloxy-4-methylpyrrolidine-1-carboxylate
CID 174682221
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
tert-butyl (2S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 167528401
tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate
CID 173493419

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate (CID 174840532) is tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate is CC(C)(C)OC(=O)N1C=CCC1OC=O.
What is the InChIKey of tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is SGKNZWRFDKWEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-6-4-5-8(11)14-7-12/h4,6-8H,5H2,1-3H3.
What are the key properties of tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate?
tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 174840532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).