tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate

C16H20N2O3 — CID 19597717

IUPACtert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2cnccc2o1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)21-15(19)18-8-4-5-12(18)14-9-11-10-17-7-6-13(11)20-14/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyDGHPDSLKALXJPY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.90
Rot. Bonds1

About tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate

tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate (PubChem CID 19597717) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
PubChem CID19597717
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nametert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2cnccc2o1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)21-15(19)18-8-4-5-12(18)14-9-11-10-17-7-6-13(11)20-14/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyDGHPDSLKALXJPY-UHFFFAOYSA-N
XLogP3.90
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(5-bromofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 18396225
tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 19597587
tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 19597605
tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 19597635
tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 115053100
tert-butyl 2-(3-cyano-4-pyridinyl)piperidine-1-carboxylate
CID 115052446
tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
CID 164551558
tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392
tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate (CID 19597717) is tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cc2cnccc2o1.
What is the InChIKey of tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate?
The InChIKey is DGHPDSLKALXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,3)21-15(19)18-8-4-5-12(18)14-9-11-10-17-7-6-13(11)20-14/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate?
tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 19597717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).