[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate

C11H17NO2 — CID 131003222

IUPAC[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate
SMILESCC1(C)[C@H]2CC=C(COC(N)=O)[C@@H]1C2
InChIInChI=1S/C11H17NO2/c1-11(2)8-4-3-7(9(11)5-8)6-14-10(12)13/h3,8-9H,4-6H2,1-2H3,(H2,12,13)/t8-,9-/m0/s1
InChIKeyQUKQXQNTXLLDLI-IUCAKERBSA-N
MW195.26 g/mol
LogP2.07
Rot. Bonds2

About [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate

[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate (PubChem CID 131003222) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate.

Molecular Properties

Compound Name[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate
PubChem CID131003222
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate
SMILESCC1(C)[C@H]2CC=C(COC(N)=O)[C@@H]1C2
InChIInChI=1S/C11H17NO2/c1-11(2)8-4-3-7(9(11)5-8)6-14-10(12)13/h3,8-9H,4-6H2,1-2H3,(H2,12,13)/t8-,9-/m0/s1
InChIKeyQUKQXQNTXLLDLI-IUCAKERBSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.07
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 [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate?
The IUPAC name of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate (CID 131003222) is [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate.
What is the SMILES notation for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate?
The canonical SMILES for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate is CC1(C)[C@H]2CC=C(COC(N)=O)[C@@H]1C2.
What is the InChIKey of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate?
The InChIKey is QUKQXQNTXLLDLI-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2)8-4-3-7(9(11)5-8)6-14-10(12)13/h3,8-9H,4-6H2,1-2H3,(H2,12,13)/t8-,9-/m0/s1.
What are the key properties of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate?
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate has a molecular weight of 195.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate is sourced from PubChem (CID 131003222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).