[(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate

C11H19NO2 — CID 70284578

IUPAC[(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-10(13)14-9-5-7-4-8(7)6-9/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9?
InChIKeyLSLHBRVFJPLXQE-JVHMLUBASA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds1

About [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate

[(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate (PubChem CID 70284578) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate
PubChem CID70284578
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-10(13)14-9-5-7-4-8(7)6-9/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9?
InChIKeyLSLHBRVFJPLXQE-JVHMLUBASA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate?
The IUPAC name of [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate (CID 70284578) is [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate?
The canonical SMILES for [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1C[C@@H]2C[C@@H]2C1.
What is the InChIKey of [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate?
The InChIKey is LSLHBRVFJPLXQE-JVHMLUBASA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)12-10(13)14-9-5-7-4-8(7)6-9/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9?.
What are the key properties of [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate?
[(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-bicyclo[3.1.0]hexanyl] N-tert-butylcarbamate is sourced from PubChem (CID 70284578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).