tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane

C15H27NO4 — CID 162762164

IUPACtert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane
SMILESC=CCC1(C=O)CCN(C(=O)OC(C)(C)C)C1.COC
InChIInChI=1S/C13H21NO3.C2H6O/c1-5-6-13(10-15)7-8-14(9-13)11(16)17-12(2,3)4;1-3-2/h5,10H,1,6-9H2,2-4H3;1-2H3
InChIKeyQRWARJHMNSOMRP-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane

tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane (PubChem CID 162762164) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane.

Molecular Properties

Compound Nametert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane
PubChem CID162762164
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane
SMILESC=CCC1(C=O)CCN(C(=O)OC(C)(C)C)C1.COC
InChIInChI=1S/C13H21NO3.C2H6O/c1-5-6-13(10-15)7-8-14(9-13)11(16)17-12(2,3)4;1-3-2/h5,10H,1,6-9H2,2-4H3;1-2H3
InChIKeyQRWARJHMNSOMRP-UHFFFAOYSA-N
XLogP2.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane?
The IUPAC name of tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane (CID 162762164) is tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane.
What is the SMILES notation for tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane?
The canonical SMILES for tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane is C=CCC1(C=O)CCN(C(=O)OC(C)(C)C)C1.COC.
What is the InChIKey of tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane?
The InChIKey is QRWARJHMNSOMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.C2H6O/c1-5-6-13(10-15)7-8-14(9-13)11(16)17-12(2,3)4;1-3-2/h5,10H,1,6-9H2,2-4H3;1-2H3.
What are the key properties of tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane?
tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane has a molecular weight of 285.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formyl-3-prop-2-enylpyrrolidine-1-carboxylate;methoxymethane is sourced from PubChem (CID 162762164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).