tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate

C15H19ClN2O3 — CID 175812333

IUPACtert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1c2ncc(Cl)cc2OC12CC2
InChIInChI=1S/C15H19ClN2O3/c1-14(2,3)21-13(19)18-8-10-12-11(6-9(16)7-17-12)20-15(10)4-5-15/h6-7,10H,4-5,8H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyDTGCDWAUSFDYNF-SNVBAGLBSA-N
MW310.78 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate

tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate (PubChem CID 175812333) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate
PubChem CID175812333
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nametert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1c2ncc(Cl)cc2OC12CC2
InChIInChI=1S/C15H19ClN2O3/c1-14(2,3)21-13(19)18-8-10-12-11(6-9(16)7-17-12)20-15(10)4-5-15/h6-7,10H,4-5,8H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyDTGCDWAUSFDYNF-SNVBAGLBSA-N
XLogP3.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate (CID 175812333) is tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1c2ncc(Cl)cc2OC12CC2.
What is the InChIKey of tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate?
The InChIKey is DTGCDWAUSFDYNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-14(2,3)21-13(19)18-8-10-12-11(6-9(16)7-17-12)20-15(10)4-5-15/h6-7,10H,4-5,8H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate?
tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate has a molecular weight of 310.78 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-6-chlorospiro[3H-furo[3,2-b]pyridine-2,1'-cyclopropane]-3-yl]methyl]carbamate is sourced from PubChem (CID 175812333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).