tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate

C12H16N2O3 — CID 86812409

IUPACtert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COc2cnccc21
InChIInChI=1S/C12H16N2O3/c1-12(2,3)17-11(15)14-9-7-16-10-6-13-5-4-8(9)10/h4-6,9H,7H2,1-3H3,(H,14,15)
InChIKeyOIZSFFWLQBTEKT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.04
Rot. Bonds1

About tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate

tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate (PubChem CID 86812409) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate
PubChem CID86812409
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nametert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COc2cnccc21
InChIInChI=1S/C12H16N2O3/c1-12(2,3)17-11(15)14-9-7-16-10-6-13-5-4-8(9)10/h4-6,9H,7H2,1-3H3,(H,14,15)
InChIKeyOIZSFFWLQBTEKT-UHFFFAOYSA-N
XLogP2.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate (CID 86812409) is tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate is CC(C)(C)OC(=O)NC1COc2cnccc21.
What is the InChIKey of tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate?
The InChIKey is OIZSFFWLQBTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,3)17-11(15)14-9-7-16-10-6-13-5-4-8(9)10/h4-6,9H,7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate?
tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)carbamate is sourced from PubChem (CID 86812409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).