tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate

C11H20ClNO4 — CID 175149663

IUPACtert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate
SMILESCC(C)(C)OC=O.O=C(Cl)OC[C@H]1CCCN1
InChIInChI=1S/C6H10ClNO2.C5H10O2/c7-6(9)10-4-5-2-1-3-8-5;1-5(2,3)7-4-6/h5,8H,1-4H2;4H,1-3H3/t5-;/m1./s1
InChIKeyHRVHUINHPYXSTN-NUBCRITNSA-N
MW265.74 g/mol
LogP2.07
Rot. Bonds3

About tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate

tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate (PubChem CID 175149663) has the molecular formula C11H20ClNO4 and a molecular weight of 265.74 g/mol. Its IUPAC name is tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate.

Molecular Properties

Compound Nametert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate
PubChem CID175149663
Molecular FormulaC11H20ClNO4
Molecular Weight265.74 g/mol
Exact Mass265.11
IUPAC Nametert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate
SMILESCC(C)(C)OC=O.O=C(Cl)OC[C@H]1CCCN1
InChIInChI=1S/C6H10ClNO2.C5H10O2/c7-6(9)10-4-5-2-1-3-8-5;1-5(2,3)7-4-6/h5,8H,1-4H2;4H,1-3H3/t5-;/m1./s1
InChIKeyHRVHUINHPYXSTN-NUBCRITNSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate?
The IUPAC name of tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate (CID 175149663) is tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate.
What is the SMILES notation for tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate?
The canonical SMILES for tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate is CC(C)(C)OC=O.O=C(Cl)OC[C@H]1CCCN1.
What is the InChIKey of tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate?
The InChIKey is HRVHUINHPYXSTN-NUBCRITNSA-N. The full InChI is InChI=1S/C6H10ClNO2.C5H10O2/c7-6(9)10-4-5-2-1-3-8-5;1-5(2,3)7-4-6/h5,8H,1-4H2;4H,1-3H3/t5-;/m1./s1.
What are the key properties of tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate?
tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate has a molecular weight of 265.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate is sourced from PubChem (CID 175149663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).