tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate

C11H17NO2 — CID 129386413

IUPACtert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1[C@@H]2C=CC[C@H]21
InChIInChI=1S/C11H17NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8(7)9/h4-5,7-9H,6H2,1-3H3,(H,12,13)/t7-,8-,9-/m1/s1
InChIKeyRTXKKFSBGVBSFL-IWSPIJDZSA-N
MW195.26 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate

tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate (PubChem CID 129386413) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate
PubChem CID129386413
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nametert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1[C@@H]2C=CC[C@H]21
InChIInChI=1S/C11H17NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8(7)9/h4-5,7-9H,6H2,1-3H3,(H,12,13)/t7-,8-,9-/m1/s1
InChIKeyRTXKKFSBGVBSFL-IWSPIJDZSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate (CID 129386413) is tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C=CC[C@H]21.
What is the InChIKey of tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate?
The InChIKey is RTXKKFSBGVBSFL-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8(7)9/h4-5,7-9H,6H2,1-3H3,(H,12,13)/t7-,8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate?
tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate has a molecular weight of 195.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate is sourced from PubChem (CID 129386413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).