benzyl N-(4-oxocyclohexyl)carbamate

C14H17NO3 — CID 14615292

IUPACbenzyl N-(4-oxocyclohexyl)carbamate
SMILESO=C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChIKeyVHXBIBFCJISKFA-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.42
Rot. Bonds3

About benzyl N-(4-oxocyclohexyl)carbamate

benzyl N-(4-oxocyclohexyl)carbamate (PubChem CID 14615292) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl N-(4-oxocyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-oxocyclohexyl)carbamate
PubChem CID14615292
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl N-(4-oxocyclohexyl)carbamate
SMILESO=C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChIKeyVHXBIBFCJISKFA-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-oxocyclohexyl)carbamate?
The IUPAC name of benzyl N-(4-oxocyclohexyl)carbamate (CID 14615292) is benzyl N-(4-oxocyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(4-oxocyclohexyl)carbamate?
The canonical SMILES for benzyl N-(4-oxocyclohexyl)carbamate is O=C1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-oxocyclohexyl)carbamate?
The InChIKey is VHXBIBFCJISKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17).
What are the key properties of benzyl N-(4-oxocyclohexyl)carbamate?
benzyl N-(4-oxocyclohexyl)carbamate has a molecular weight of 247.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-oxocyclohexyl)carbamate is sourced from PubChem (CID 14615292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).