ethyl N-(4-oxocyclohexyl)carbamate

C9H15NO3 — CID 12546192

IUPACethyl N-(4-oxocyclohexyl)carbamate
SMILESCCOC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyQTWZIQLAPSOQNL-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.24
Rot. Bonds2

About ethyl N-(4-oxocyclohexyl)carbamate

ethyl N-(4-oxocyclohexyl)carbamate (PubChem CID 12546192) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl N-(4-oxocyclohexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-oxocyclohexyl)carbamate
PubChem CID12546192
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl N-(4-oxocyclohexyl)carbamate
SMILESCCOC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyQTWZIQLAPSOQNL-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-oxocyclohexyl)carbamate?
The IUPAC name of ethyl N-(4-oxocyclohexyl)carbamate (CID 12546192) is ethyl N-(4-oxocyclohexyl)carbamate.
What is the SMILES notation for ethyl N-(4-oxocyclohexyl)carbamate?
The canonical SMILES for ethyl N-(4-oxocyclohexyl)carbamate is CCOC(=O)NC1CCC(=O)CC1.
What is the InChIKey of ethyl N-(4-oxocyclohexyl)carbamate?
The InChIKey is QTWZIQLAPSOQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of ethyl N-(4-oxocyclohexyl)carbamate?
ethyl N-(4-oxocyclohexyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-oxocyclohexyl)carbamate is sourced from PubChem (CID 12546192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).