tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate

C10H15NO4 — CID 130250817

IUPACtert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)CC1C=O
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h6-7H,4-5H2,1-3H3
InChIKeyQRFIIVJUERZYAQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.76
Rot. Bonds1

About tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate

tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate (PubChem CID 130250817) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
PubChem CID130250817
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)CC1C=O
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h6-7H,4-5H2,1-3H3
InChIKeyQRFIIVJUERZYAQ-UHFFFAOYSA-N
XLogP0.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.76
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 (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl 2-(3,3-dimethylbutyl)-4-oxopyrrolidine-1-carboxylate
CID 172607958
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl (2S)-2-formyl-4-methylpyrrolidine-1-carboxylate
CID 86679299
tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 162342912
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate
CID 130347293
tert-butyl 3-formyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 74439641
tert-butyl (3S,5S)-5-formyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 89448958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate (CID 130250817) is tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)CC1C=O.
What is the InChIKey of tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate?
The InChIKey is QRFIIVJUERZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h6-7H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate?
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 130250817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).