tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate

C11H17NO3 — CID 22479589

IUPACtert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C2CC(=O)CC21
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-9-7-4-6(13)5-8(7)9/h7-9H,4-5H2,1-3H3,(H,12,14)
InChIKeyYZWIMFNIJSUNNF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate

tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate (PubChem CID 22479589) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate
PubChem CID22479589
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C2CC(=O)CC21
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-9-7-4-6(13)5-8(7)9/h7-9H,4-5H2,1-3H3,(H,12,14)
InChIKeyYZWIMFNIJSUNNF-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate?
The IUPAC name of tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate (CID 22479589) is tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate?
The canonical SMILES for tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate is CC(C)(C)OC(=O)NC1C2CC(=O)CC21.
What is the InChIKey of tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate?
The InChIKey is YZWIMFNIJSUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-9-7-4-6(13)5-8(7)9/h7-9H,4-5H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate?
tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate is sourced from PubChem (CID 22479589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).