tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate

C15H25NO3 — CID 43829180

IUPACtert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-12(2,3)19-11(18)16-15-8-7-14(6,10(17)9-15)13(15,4)5/h7-9H2,1-6H3,(H,16,18)
InChIKeyJYADUEFJZHSMQH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate

tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate (PubChem CID 43829180) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate
PubChem CID43829180
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-12(2,3)19-11(18)16-15-8-7-14(6,10(17)9-15)13(15,4)5/h7-9H2,1-6H3,(H,16,18)
InChIKeyJYADUEFJZHSMQH-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate?
The IUPAC name of tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate (CID 43829180) is tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate?
The canonical SMILES for tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate is CC(C)(C)OC(=O)NC12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate?
The InChIKey is JYADUEFJZHSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2,3)19-11(18)16-15-8-7-14(6,10(17)9-15)13(15,4)5/h7-9H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate?
tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate has a molecular weight of 267.37 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl)carbamate is sourced from PubChem (CID 43829180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).