2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate

C13H23NO3 — CID 79345179

IUPAC2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCC1(C)C2CCC1(C)C(NC(=O)OCCO)C2
InChIInChI=1S/C13H23NO3/c1-12(2)9-4-5-13(12,3)10(8-9)14-11(16)17-7-6-15/h9-10,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyUCFQMSJKKNMBRZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.92
Rot. Bonds3

About 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate

2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate (PubChem CID 79345179) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
PubChem CID79345179
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCC1(C)C2CCC1(C)C(NC(=O)OCCO)C2
InChIInChI=1S/C13H23NO3/c1-12(2)9-4-5-13(12,3)10(8-9)14-11(16)17-7-6-15/h9-10,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyUCFQMSJKKNMBRZ-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate (CID 79345179) is 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate is CC1(C)C2CCC1(C)C(NC(=O)OCCO)C2.
What is the InChIKey of 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate?
The InChIKey is UCFQMSJKKNMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)9-4-5-13(12,3)10(8-9)14-11(16)17-7-6-15/h9-10,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate?
2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate is sourced from PubChem (CID 79345179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).