(4-oxocyclohexyl) N-phenylcarbamate

C13H15NO3 — CID 5238930

IUPAC(4-oxocyclohexyl) N-phenylcarbamate
SMILESO=C1CCC(OC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H15NO3/c15-11-6-8-12(9-7-11)17-13(16)14-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,14,16)
InChIKeyHAOKQVBKPKYUAX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.75
Rot. Bonds2

About (4-oxocyclohexyl) N-phenylcarbamate

(4-oxocyclohexyl) N-phenylcarbamate (PubChem CID 5238930) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4-oxocyclohexyl) N-phenylcarbamate.

Molecular Properties

Compound Name(4-oxocyclohexyl) N-phenylcarbamate
PubChem CID5238930
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4-oxocyclohexyl) N-phenylcarbamate
SMILESO=C1CCC(OC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H15NO3/c15-11-6-8-12(9-7-11)17-13(16)14-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,14,16)
InChIKeyHAOKQVBKPKYUAX-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohexyl) N-phenylcarbamate?
The IUPAC name of (4-oxocyclohexyl) N-phenylcarbamate (CID 5238930) is (4-oxocyclohexyl) N-phenylcarbamate.
What is the SMILES notation for (4-oxocyclohexyl) N-phenylcarbamate?
The canonical SMILES for (4-oxocyclohexyl) N-phenylcarbamate is O=C1CCC(OC(=O)Nc2ccccc2)CC1.
What is the InChIKey of (4-oxocyclohexyl) N-phenylcarbamate?
The InChIKey is HAOKQVBKPKYUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-6-8-12(9-7-11)17-13(16)14-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,14,16).
What are the key properties of (4-oxocyclohexyl) N-phenylcarbamate?
(4-oxocyclohexyl) N-phenylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohexyl) N-phenylcarbamate is sourced from PubChem (CID 5238930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).