[(1S)-2-oxocyclohexyl] N-tert-butylcarbamate

C11H19NO3 — CID 174690279

IUPAC[(1S)-2-oxocyclohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-11(2,3)12-10(14)15-9-7-5-4-6-8(9)13/h9H,4-7H2,1-3H3,(H,12,14)/t9-/m0/s1
InChIKeyCQNGYJFREUVPHU-VIFPVBQESA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds1

About [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate

[(1S)-2-oxocyclohexyl] N-tert-butylcarbamate (PubChem CID 174690279) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1S)-2-oxocyclohexyl] N-tert-butylcarbamate
PubChem CID174690279
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(1S)-2-oxocyclohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-11(2,3)12-10(14)15-9-7-5-4-6-8(9)13/h9H,4-7H2,1-3H3,(H,12,14)/t9-/m0/s1
InChIKeyCQNGYJFREUVPHU-VIFPVBQESA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate (CID 174690279) is [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CCCCC1=O.
What is the InChIKey of [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate?
The InChIKey is CQNGYJFREUVPHU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)12-10(14)15-9-7-5-4-6-8(9)13/h9H,4-7H2,1-3H3,(H,12,14)/t9-/m0/s1.
What are the key properties of [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate?
[(1S)-2-oxocyclohexyl] N-tert-butylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 174690279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).