tert-butyl 3-formylazetidine-1-carboxylate

C9H15NO3 — CID 10726182

IUPACtert-butyl 3-formylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
InChIKeyJVQOZRRUGOADSU-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.05
Rot. Bonds1

About tert-butyl 3-formylazetidine-1-carboxylate

tert-butyl 3-formylazetidine-1-carboxylate (PubChem CID 10726182) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is tert-butyl 3-formylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formylazetidine-1-carboxylate
PubChem CID10726182
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nametert-butyl 3-formylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
InChIKeyJVQOZRRUGOADSU-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-(3-oxopropyl)carbamate
CID 10442454
tert-Butyl 2-oxoazetidine-1-carboxylate
CID 23179885
1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate
CID 44607627
tert-Butyl 3-(2-oxoethyl)azetidine-1-carboxylate
CID 53415272
Carbamic acid, (2,2-dimethyl-3-oxopropyl)methyl-, 1,1-dimethylethyl ester
CID 87918870
Tert-butyl 3-formyl-3-methylazetidine-1-carboxylate
CID 89534490
Tert-butyl 3-(1-oxopropan-2-yl)azetidine-1-carboxylate
CID 83909851
Tert-butyl 3-formyl-3-(methoxymethyl)azetidine-1-carboxylate
CID 165756666
1-tert-Butyl 3-ethyl azetidine-1,3-dicarboxylate
CID 53485131
1-Boc-3-fluoroazetidine-3-carbaldehyde
CID 72207994
Tert-butyl 3-carbonofluoridoylazetidine-1-carboxylate
CID 118155290
Tert-butyl 3-formyl-3-(trifluoromethyl)azetidine-1-carboxylate
CID 178013669

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-formylazetidine-1-carboxylate (CID 10726182) is tert-butyl 3-formylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-formylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-formylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C=O)C1.
What is the InChIKey of tert-butyl 3-formylazetidine-1-carboxylate?
The InChIKey is JVQOZRRUGOADSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3.
What are the key properties of tert-butyl 3-formylazetidine-1-carboxylate?
tert-butyl 3-formylazetidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formylazetidine-1-carboxylate is sourced from PubChem (CID 10726182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).