[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate

C17H23NO3 — CID 102093381

IUPAC[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate
SMILESC[C@]12CCC[C@](C)(CC1)C2OC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C17H23NO3/c1-16-8-3-9-17(2,11-10-16)14(16)21-15(20)18-12-4-6-13(19)7-5-12/h4-7,14,19H,3,8-11H2,1-2H3,(H,18,20)/t14?,16-,17+
InChIKeyBFMFVEQYPPZBSU-ZXFUBFMLSA-N
MW289.37 g/mol
LogP4.30
Rot. Bonds2

About [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate

[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate (PubChem CID 102093381) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate
PubChem CID102093381
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate
SMILESC[C@]12CCC[C@](C)(CC1)C2OC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C17H23NO3/c1-16-8-3-9-17(2,11-10-16)14(16)21-15(20)18-12-4-6-13(19)7-5-12/h4-7,14,19H,3,8-11H2,1-2H3,(H,18,20)/t14?,16-,17+
InChIKeyBFMFVEQYPPZBSU-ZXFUBFMLSA-N
XLogP4.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate?
The IUPAC name of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate (CID 102093381) is [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate is C[C@]12CCC[C@](C)(CC1)C2OC(=O)Nc1ccc(O)cc1.
What is the InChIKey of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate?
The InChIKey is BFMFVEQYPPZBSU-ZXFUBFMLSA-N. The full InChI is InChI=1S/C17H23NO3/c1-16-8-3-9-17(2,11-10-16)14(16)21-15(20)18-12-4-6-13(19)7-5-12/h4-7,14,19H,3,8-11H2,1-2H3,(H,18,20)/t14?,16-,17+.
What are the key properties of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate?
[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate has a molecular weight of 289.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 102093381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).