N-(4-oxocyclohexyl)acetamide

C8H13NO2 — CID 538565

IUPACN-(4-oxocyclohexyl)acetamide
SMILESCC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKeyWZEMYWNHKFIVKE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds1

About N-(4-oxocyclohexyl)acetamide

N-(4-oxocyclohexyl)acetamide (PubChem CID 538565) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)acetamide
PubChem CID538565
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(4-oxocyclohexyl)acetamide
SMILESCC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKeyWZEMYWNHKFIVKE-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)acetamide?
The IUPAC name of N-(4-oxocyclohexyl)acetamide (CID 538565) is N-(4-oxocyclohexyl)acetamide.
What is the SMILES notation for N-(4-oxocyclohexyl)acetamide?
The canonical SMILES for N-(4-oxocyclohexyl)acetamide is CC(=O)NC1CCC(=O)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)acetamide?
The InChIKey is WZEMYWNHKFIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10).
What are the key properties of N-(4-oxocyclohexyl)acetamide?
N-(4-oxocyclohexyl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)acetamide is sourced from PubChem (CID 538565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).