2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate

C15H25NO3 — CID 11277158

IUPAC2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC(C)(C)COC(=O)N[C@]12CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C15H25NO3/c1-13(2,3)9-19-12(18)16-15-7-6-10(8-11(15)17)14(15,4)5/h10H,6-9H2,1-5H3,(H,16,18)/t10-,15-/m1/s1
InChIKeySPCCIJVDMRZDHV-MEBBXXQBSA-N
MW267.37 g/mol
LogP2.91
Rot. Bonds2

About 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate

2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate (PubChem CID 11277158) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate
PubChem CID11277158
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC(C)(C)COC(=O)N[C@]12CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C15H25NO3/c1-13(2,3)9-19-12(18)16-15-7-6-10(8-11(15)17)14(15,4)5/h10H,6-9H2,1-5H3,(H,16,18)/t10-,15-/m1/s1
InChIKeySPCCIJVDMRZDHV-MEBBXXQBSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate (CID 11277158) is 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate is CC(C)(C)COC(=O)N[C@]12CC[C@H](CC1=O)C2(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate?
The InChIKey is SPCCIJVDMRZDHV-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2,3)9-19-12(18)16-15-7-6-10(8-11(15)17)14(15,4)5/h10H,6-9H2,1-5H3,(H,16,18)/t10-,15-/m1/s1.
What are the key properties of 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate?
2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]carbamate is sourced from PubChem (CID 11277158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).