tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate

C15H20N2O4 — CID 137450261

IUPACtert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)16-11-5-4-6-17(13(11)18)12-9-7-20-8-10(9)12/h4-6,9-10,12H,7-8H2,1-3H3,(H,16,19)/t9-,10+,12?
InChIKeyWPZLZKKSWXBWLN-DHHPTOIESA-N
MW292.34 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450261) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450261
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nametert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)16-11-5-4-6-17(13(11)18)12-9-7-20-8-10(9)12/h4-6,9-10,12H,7-8H2,1-3H3,(H,16,19)/t9-,10+,12?
InChIKeyWPZLZKKSWXBWLN-DHHPTOIESA-N
XLogP2.01
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate (CID 137450261) is tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is WPZLZKKSWXBWLN-DHHPTOIESA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)16-11-5-4-6-17(13(11)18)12-9-7-20-8-10(9)12/h4-6,9-10,12H,7-8H2,1-3H3,(H,16,19)/t9-,10+,12?.
What are the key properties of tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).