tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate

C13H21NO4 — CID 130367334

IUPACtert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1CN(C(=O)OC(C)(C)C)CC1OC=O
InChIInChI=1S/C13H21NO4/c1-5-6-10-7-14(8-11(10)17-9-15)12(16)18-13(2,3)4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyGUVAPKRXRBPWNO-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 130367334) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID130367334
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1CN(C(=O)OC(C)(C)C)CC1OC=O
InChIInChI=1S/C13H21NO4/c1-5-6-10-7-14(8-11(10)17-9-15)12(16)18-13(2,3)4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyGUVAPKRXRBPWNO-UHFFFAOYSA-N
XLogP1.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.97
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-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
CID 20780852
3-O-tert-butyl 7-O-prop-2-enyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 23569422
tert-butyl (3S,4S)-3-hydroxy-4-prop-2-enoxypyrrolidine-1-carboxylate
CID 57019319
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (3S,4S)-3-amino-4-ethoxypyrrolidine-1-carboxylate
CID 27281446
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-ethenylpyrrolidine-1,3-dicarboxylate
CID 146382617
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl 3-[[(2-acetyloxyacetyl)-prop-2-enylamino]methyl]-4-fluoropyrrolidine-1-carboxylate
CID 144716297
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 58557112

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate (CID 130367334) is tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate is C=CCC1CN(C(=O)OC(C)(C)C)CC1OC=O.
What is the InChIKey of tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is GUVAPKRXRBPWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-5-6-10-7-14(8-11(10)17-9-15)12(16)18-13(2,3)4/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 130367334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).