tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate

C15H21ClN2O4 — CID 71924418

IUPACtert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H21ClN2O4/c1-15(2,3)22-14(20)17(4)10-7-8-18(9-10)13(19)11-5-6-12(16)21-11/h5-6,10H,7-9H2,1-4H3
InChIKeyZZNLNGLSJNUCBT-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 71924418) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID71924418
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Nametert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H21ClN2O4/c1-15(2,3)22-14(20)17(4)10-7-8-18(9-10)13(19)11-5-6-12(16)21-11/h5-6,10H,7-9H2,1-4H3
InChIKeyZZNLNGLSJNUCBT-UHFFFAOYSA-N
XLogP3.01
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate (CID 71924418) is tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is ZZNLNGLSJNUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-15(2,3)22-14(20)17(4)10-7-8-18(9-10)13(19)11-5-6-12(16)21-11/h5-6,10H,7-9H2,1-4H3.
What are the key properties of tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 328.80 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-chlorofuran-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 71924418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).