[(1S)-3-oxocyclohexyl] carbamate

C7H11NO3 — CID 175476658

IUPAC[(1S)-3-oxocyclohexyl] carbamate
SMILESNC(=O)O[C@H]1CCCC(=O)C1
InChIInChI=1S/C7H11NO3/c8-7(10)11-6-3-1-2-5(9)4-6/h6H,1-4H2,(H2,8,10)/t6-/m0/s1
InChIKeyUKXQIDVFOUSXOI-LURJTMIESA-N
MW157.17 g/mol
LogP0.59
Rot. Bonds1

About [(1S)-3-oxocyclohexyl] carbamate

[(1S)-3-oxocyclohexyl] carbamate (PubChem CID 175476658) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(1S)-3-oxocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1S)-3-oxocyclohexyl] carbamate
PubChem CID175476658
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(1S)-3-oxocyclohexyl] carbamate
SMILESNC(=O)O[C@H]1CCCC(=O)C1
InChIInChI=1S/C7H11NO3/c8-7(10)11-6-3-1-2-5(9)4-6/h6H,1-4H2,(H2,8,10)/t6-/m0/s1
InChIKeyUKXQIDVFOUSXOI-LURJTMIESA-N
XLogP0.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-oxocyclohexyl] carbamate?
The IUPAC name of [(1S)-3-oxocyclohexyl] carbamate (CID 175476658) is [(1S)-3-oxocyclohexyl] carbamate.
What is the SMILES notation for [(1S)-3-oxocyclohexyl] carbamate?
The canonical SMILES for [(1S)-3-oxocyclohexyl] carbamate is NC(=O)O[C@H]1CCCC(=O)C1.
What is the InChIKey of [(1S)-3-oxocyclohexyl] carbamate?
The InChIKey is UKXQIDVFOUSXOI-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO3/c8-7(10)11-6-3-1-2-5(9)4-6/h6H,1-4H2,(H2,8,10)/t6-/m0/s1.
What are the key properties of [(1S)-3-oxocyclohexyl] carbamate?
[(1S)-3-oxocyclohexyl] carbamate has a molecular weight of 157.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-oxocyclohexyl] carbamate is sourced from PubChem (CID 175476658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).