N-(3-oxocyclohexyl)acetamide

C8H13NO2 — CID 20529251

IUPACN-(3-oxocyclohexyl)acetamide
SMILESCC(=O)NC1CCCC(=O)C1
InChIInChI=1S/C8H13NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h7H,2-5H2,1H3,(H,9,10)
InChIKeyHEMYPFUWQKQXSD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds1

About N-(3-oxocyclohexyl)acetamide

N-(3-oxocyclohexyl)acetamide (PubChem CID 20529251) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(3-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-(3-oxocyclohexyl)acetamide
PubChem CID20529251
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(3-oxocyclohexyl)acetamide
SMILESCC(=O)NC1CCCC(=O)C1
InChIInChI=1S/C8H13NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h7H,2-5H2,1H3,(H,9,10)
InChIKeyHEMYPFUWQKQXSD-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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Related Compounds

N-Cyclohexylacetoacetamide
CID 70805
N-(4-Oxocyclohexyl)acetamide
CID 538565
3-oxo-N-(2-oxocyclohexyl)pentanamide
CID 155543620
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
6-Methylpiperidine-2,4-dione
CID 19898178
Hexanamide, N-cyclohexyl
CID 280983
3,3,3-trifluoro-N-(3-oxocyclohexyl)propanamide
CID 176434979
N-acetyl-aminocyclohexanone
CID 12217020
N-(5-oxohexan-2-yl)acetamide
CID 21343386
2-Methyl-N-(4-oxocyclohexyl)propanamide
CID 21533994
6-Methylpiperidine-2,3-dione
CID 55287602
2,2-dimethyl-N-(3-oxocyclohexyl)propanamide
CID 130015025

Frequently Asked Questions

What is the IUPAC name of N-(3-oxocyclohexyl)acetamide?
The IUPAC name of N-(3-oxocyclohexyl)acetamide (CID 20529251) is N-(3-oxocyclohexyl)acetamide.
What is the SMILES notation for N-(3-oxocyclohexyl)acetamide?
The canonical SMILES for N-(3-oxocyclohexyl)acetamide is CC(=O)NC1CCCC(=O)C1.
What is the InChIKey of N-(3-oxocyclohexyl)acetamide?
The InChIKey is HEMYPFUWQKQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h7H,2-5H2,1H3,(H,9,10).
What are the key properties of N-(3-oxocyclohexyl)acetamide?
N-(3-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-(3-oxocyclohexyl)acetamide is sourced from PubChem (CID 20529251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).