N-[4-(2-oxoethyl)cyclohexyl]acetamide

C10H17NO2 — CID 59464618

IUPACN-[4-(2-oxoethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CC=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(13)11-10-4-2-9(3-5-10)6-7-12/h7,9-10H,2-6H2,1H3,(H,11,13)
InChIKeyYCHMBPAKTRVRIJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds3

About N-[4-(2-oxoethyl)cyclohexyl]acetamide

N-[4-(2-oxoethyl)cyclohexyl]acetamide (PubChem CID 59464618) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[4-(2-oxoethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxoethyl)cyclohexyl]acetamide
PubChem CID59464618
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[4-(2-oxoethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CC=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(13)11-10-4-2-9(3-5-10)6-7-12/h7,9-10H,2-6H2,1H3,(H,11,13)
InChIKeyYCHMBPAKTRVRIJ-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxoethyl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(2-oxoethyl)cyclohexyl]acetamide (CID 59464618) is N-[4-(2-oxoethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(2-oxoethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(2-oxoethyl)cyclohexyl]acetamide is CC(=O)NC1CCC(CC=O)CC1.
What is the InChIKey of N-[4-(2-oxoethyl)cyclohexyl]acetamide?
The InChIKey is YCHMBPAKTRVRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(13)11-10-4-2-9(3-5-10)6-7-12/h7,9-10H,2-6H2,1H3,(H,11,13).
What are the key properties of N-[4-(2-oxoethyl)cyclohexyl]acetamide?
N-[4-(2-oxoethyl)cyclohexyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxoethyl)cyclohexyl]acetamide is sourced from PubChem (CID 59464618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).