tert-butyl formate;3-methylidenepyrrolidine

C10H19NO2 — CID 160570401

IUPACtert-butyl formate;3-methylidenepyrrolidine
SMILESC=C1CCNC1.CC(C)(C)OC=O
InChIInChI=1S/C5H9N.C5H10O2/c1-5-2-3-6-4-5;1-5(2,3)7-4-6/h6H,1-4H2;4H,1-3H3
InChIKeyRALYCZHPNGEKMN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl formate;3-methylidenepyrrolidine

tert-butyl formate;3-methylidenepyrrolidine (PubChem CID 160570401) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl formate;3-methylidenepyrrolidine.

Molecular Properties

Compound Nametert-butyl formate;3-methylidenepyrrolidine
PubChem CID160570401
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl formate;3-methylidenepyrrolidine
SMILESC=C1CCNC1.CC(C)(C)OC=O
InChIInChI=1S/C5H9N.C5H10O2/c1-5-2-3-6-4-5;1-5(2,3)7-4-6/h6H,1-4H2;4H,1-3H3
InChIKeyRALYCZHPNGEKMN-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-methylidenepyrrolidine?
The IUPAC name of tert-butyl formate;3-methylidenepyrrolidine (CID 160570401) is tert-butyl formate;3-methylidenepyrrolidine.
What is the SMILES notation for tert-butyl formate;3-methylidenepyrrolidine?
The canonical SMILES for tert-butyl formate;3-methylidenepyrrolidine is C=C1CCNC1.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;3-methylidenepyrrolidine?
The InChIKey is RALYCZHPNGEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C5H10O2/c1-5-2-3-6-4-5;1-5(2,3)7-4-6/h6H,1-4H2;4H,1-3H3.
What are the key properties of tert-butyl formate;3-methylidenepyrrolidine?
tert-butyl formate;3-methylidenepyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-methylidenepyrrolidine is sourced from PubChem (CID 160570401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).